CID 5278297

Pyridine deriv. 48

Structural Information

Molecular Formula
C7H10N4O4S
SMILES
CS(=O)(=O)NC1=C(N=C(C=C1N)C(=O)O)N
InChI
InChI=1S/C7H10N4O4S/c1-16(14,15)11-5-3(8)2-4(7(12)13)10-6(5)9/h2,11H,1H3,(H,12,13)(H4,8,9,10)
InChIKey
HGVYBQLODWERBT-UHFFFAOYSA-N
Compound name
4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.04228 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04956 149.2
[M+Na]+ 269.03150 157.2
[M-H]- 245.03500 150.0
[M+NH4]+ 264.07610 163.5
[M+K]+ 285.00544 153.8
[M+H-H2O]+ 229.03954 142.4
[M+HCOO]- 291.04048 166.5
[M+CH3COO]- 305.05613 194.7
[M+Na-2H]- 267.01695 152.0
[M]+ 246.04173 148.1
[M]- 246.04283 148.1
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.