CID 135420543

Nsc84122

Structural Information

Molecular Formula
C17H15N7O4S
SMILES
C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N=C(NC3=O)N)N
InChI
InChI=1S/C17H15N7O4S/c18-14-13(16(26)21-17(19)20-14)23-22-11-6-8-12(9-7-11)29(27,28)24-15(25)10-4-2-1-3-5-10/h1-9H,(H,24,25)(H5,18,19,20,21,26)
InChIKey
ICCJTKXQWZHRIO-UHFFFAOYSA-N
Compound name
N-[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]sulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

413.09064 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.09792 191.8
[M+Na]+ 436.07986 198.6
[M-H]- 412.08336 200.0
[M+NH4]+ 431.12446 197.9
[M+K]+ 452.05380 192.9
[M+H-H2O]+ 396.08790 180.8
[M+HCOO]- 458.08884 212.6
[M+CH3COO]- 472.10449 233.6
[M+Na-2H]- 434.06531 198.2
[M]+ 413.09009 191.0
[M]- 413.09119 191.0
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.