PubChemLite - Uvasorb k2a (C47H56N8O2)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)CNC1=NC(=NC(=N1)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)(C)CC)NC5=CC=C(C=C5)C6=NC7=C(O6)C=CC(=C7)C(C)(C)CC

InChI

InChI=1S/C47H56N8O2/c1-9-13-14-30(10-2)29-48-43-53-44(49-35-21-15-31(16-22-35)41-51-37-27-33(46(5,6)11-3)19-25-39(37)56-41)55-45(54-43)50-36-23-17-32(18-24-36)42-52-38-28-34(47(7,8)12-4)20-26-40(38)57-42/h15-28,30H,9-14,29H2,1-8H3,(H3,48,49,50,53,54,55)

InChIKey

ZVIJJZZVZCQINB-UHFFFAOYSA-N

Compound name

6-N-(2-ethylhexyl)-2-N,4-N-bis[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	765.45992	287.5
[M+Na]+	787.44186	289.9
[M-H]-	763.44536	300.2
[M+NH4]+	782.48646	278.2
[M+K]+	803.41580	283.6
[M+H-H2O]+	747.44990	272.7
[M+HCOO]-	809.45084	296.8
[M+CH3COO]-	823.46649	288.3
[M+Na-2H]-	785.42731	286.0
[M]+	764.45209	295.5
[M]-	764.45319	295.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

765.45992

287.5

[M+Na]+

787.44186

289.9

[M-H]-

763.44536

300.2

[M+NH4]+

782.48646

278.2

[M+K]+

803.41580

283.6

[M+H-H2O]+

747.44990

272.7

[M+HCOO]-

809.45084

296.8

[M+CH3COO]-

823.46649

288.3

[M+Na-2H]-

785.42731

286.0

[M]+

764.45209

295.5

[M]-

764.45319

295.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Uvasorb k2a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe