PubChemLite - 59252-35-6 (C24H41N3O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O

InChI

InChI=1S/C24H41N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(29)25-19-15-16-27(24(32)26-19)23-22(31)21(30)18(17-28)33-23/h15-16,18,21-23,28,30-31H,2-14,17H2,1H3,(H,25,26,29,32)/t18-,21-,22+,23-/m1/s1

InChIKey

KPDUJONFVNUHQT-TWHAJKEOSA-N

Compound name

N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide

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]+	468.30681	217.2
[M+Na]+	490.28875	218.8
[M-H]-	466.29225	216.6
[M+NH4]+	485.33335	221.0
[M+K]+	506.26269	214.7
[M+H-H2O]+	450.29679	207.5
[M+HCOO]-	512.29773	229.4
[M+CH3COO]-	526.31338	233.6
[M+Na-2H]-	488.27420	211.6
[M]+	467.29898	221.4
[M]-	467.30008	221.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.30681

217.2

[M+Na]+

490.28875

218.8

[M-H]-

466.29225

216.6

[M+NH4]+

485.33335

221.0

[M+K]+

506.26269

214.7

[M+H-H2O]+

450.29679

207.5

[M+HCOO]-

512.29773

229.4

[M+CH3COO]-

526.31338

233.6

[M+Na-2H]-

488.27420

211.6

[M]+

467.29898

221.4

[M]-

467.30008

221.4

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

59252-35-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe