CID 135534042

Nsc 106467

Structural Information

Molecular Formula
C14H19N5O3S
SMILES
CC1=C(C(=O)NC(=N1)N)CCCNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H19N5O3S/c1-9-12(13(20)19-14(16)18-9)3-2-8-17-23(21,22)11-6-4-10(15)5-7-11/h4-7,17H,2-3,8,15H2,1H3,(H3,16,18,19,20)
InChIKey
YNYYVZPSIPGHAI-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12813 176.5
[M+Na]+ 360.11007 184.4
[M-H]- 336.11357 178.9
[M+NH4]+ 355.15467 186.0
[M+K]+ 376.08401 177.6
[M+H-H2O]+ 320.11811 167.7
[M+HCOO]- 382.11905 192.7
[M+CH3COO]- 396.13470 212.6
[M+Na-2H]- 358.09552 179.4
[M]+ 337.12030 175.8
[M]- 337.12140 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.