CID 5278298

Pyridine deriv. 51

Structural Information

Molecular Formula
C9H12N6O3
SMILES
CC(=O)NC1=C(N=C(C=C1N)C(=O)O)N=C(N)N
InChI
InChI=1S/C9H12N6O3/c1-3(16)13-6-4(10)2-5(8(17)18)14-7(6)15-9(11)12/h2H,1H3,(H,13,16)(H,17,18)(H6,10,11,12,14,15)
InChIKey
OTYOERJVFOHISU-UHFFFAOYSA-N
Compound name
5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.09709 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 155.0
[M+Na]+ 275.08631 160.9
[M-H]- 251.08981 157.0
[M+NH4]+ 270.13091 168.5
[M+K]+ 291.06025 159.8
[M+H-H2O]+ 235.09435 146.7
[M+HCOO]- 297.09529 179.6
[M+CH3COO]- 311.11094 207.9
[M+Na-2H]- 273.07176 156.0
[M]+ 252.09654 149.9
[M]- 252.09764 149.9
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.