PubChemLite - 80785-18-8 (C28H32F3N3O)

Structural Information

Molecular Formula

SMILES

CC(C)N(CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F)C(C)C

InChI

InChI=1S/C28H32F3N3O/c1-20(2)34(21(3)4)17-18-35-26-15-13-24(14-16-26)32-27(22-9-6-5-7-10-22)33-25-12-8-11-23(19-25)28(29,30)31/h5-16,19-21H,17-18H2,1-4H3,(H,32,33)

InChIKey

OTSBHVRDRGPDPG-UHFFFAOYSA-N

Compound name

N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide

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]+	484.25704	220.7
[M+Na]+	506.23898	222.2
[M-H]-	482.24248	227.3
[M+NH4]+	501.28358	227.5
[M+K]+	522.21292	217.8
[M+H-H2O]+	466.24702	206.4
[M+HCOO]-	528.24796	238.9
[M+CH3COO]-	542.26361	252.2
[M+Na-2H]-	504.22443	218.8
[M]+	483.24921	218.5
[M]-	483.25031	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.25704

220.7

[M+Na]+

506.23898

222.2

[M-H]-

482.24248

227.3

[M+NH4]+

501.28358

227.5

[M+K]+

522.21292

217.8

[M+H-H2O]+

466.24702

206.4

[M+HCOO]-

528.24796

238.9

[M+CH3COO]-

542.26361

252.2

[M+Na-2H]-

504.22443

218.8

[M]+

483.24921

218.5

[M]-

483.25031

218.5

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

80785-18-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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