CID 9587945

Isonicotinamidoguanylmercaptoacetic acid hydrochloride

Structural Information

Molecular Formula
C9H11N5O3S
SMILES
C1=CN=CC=C1C(=O)NN/C=N/NSCC(=O)O
InChI
InChI=1S/C9H11N5O3S/c15-8(16)5-18-14-12-6-11-13-9(17)7-1-3-10-4-2-7/h1-4,6,14H,5H2,(H,11,12)(H,13,17)(H,15,16)
InChIKey
AZKDFWMMETWPMC-UHFFFAOYSA-N
Compound name
2-[(2E)-2-[[2-(pyridine-4-carbonyl)hydrazinyl]methylidene]hydrazinyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.05826 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06554 154.4
[M+Na]+ 292.04748 158.2
[M-H]- 268.05098 156.1
[M+NH4]+ 287.09208 167.8
[M+K]+ 308.02142 155.5
[M+H-H2O]+ 252.05552 145.4
[M+HCOO]- 314.05646 175.3
[M+CH3COO]- 328.07211 202.2
[M+Na-2H]- 290.03293 159.6
[M]+ 269.05771 154.3
[M]- 269.05881 154.3
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.