CID 2608

4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide

Structural Information

Molecular Formula
C10H11N5O2S
SMILES
C1=CC(=CC=C1NC2=NC=NC(=C2)N)S(=O)(=O)N
InChI
InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
InChIKey
FVFVVRPJERUECT-UHFFFAOYSA-N
Compound name
4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

97
Patents

265.06335 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07063 155.4
[M+Na]+ 288.05257 163.9
[M-H]- 264.05607 159.2
[M+NH4]+ 283.09717 168.2
[M+K]+ 304.02651 158.6
[M+H-H2O]+ 248.06061 146.9
[M+HCOO]- 310.06155 174.2
[M+CH3COO]- 324.07720 198.6
[M+Na-2H]- 286.03802 161.8
[M]+ 265.06280 153.6
[M]- 265.06390 153.6
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

patents stripe