CID 154734778

Dtxsid101019510

Structural Information

Molecular Formula
C10H11N5O3S
SMILES
C1C(=N/C(=N\S(=O)(=O)C2=CC=C(C=C2)N)/NC1=O)N
InChI
InChI=1S/C10H11N5O3S/c11-6-1-3-7(4-2-6)19(17,18)15-10-13-8(12)5-9(16)14-10/h1-4H,5,11H2,(H3,12,13,14,15,16)
InChIKey
TXQPSXOVOVQAQS-UHFFFAOYSA-N
Compound name
(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.05826 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06554 160.1
[M+Na]+ 304.04748 167.8
[M-H]- 280.05098 163.5
[M+NH4]+ 299.09208 172.1
[M+K]+ 320.02142 162.4
[M+H-H2O]+ 264.05552 151.8
[M+HCOO]- 326.05646 176.5
[M+CH3COO]- 340.07211 200.7
[M+Na-2H]- 302.03293 164.1
[M]+ 281.05771 155.9
[M]- 281.05881 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.