CID 5278295

Pyridine deriv. 35

Structural Information

Molecular Formula
C9H11N5O3
SMILES
CC(=O)NC1=C(N=C(C=C1)C(=O)O)N=C(N)N
InChI
InChI=1S/C9H11N5O3/c1-4(15)12-5-2-3-6(8(16)17)13-7(5)14-9(10)11/h2-3H,1H3,(H,12,15)(H,16,17)(H4,10,11,13,14)
InChIKey
GHPBFMJFCNOSSO-UHFFFAOYSA-N
Compound name
5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.08618 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 151.1
[M+Na]+ 260.07540 156.8
[M-H]- 236.07890 153.1
[M+NH4]+ 255.12000 165.5
[M+K]+ 276.04934 155.8
[M+H-H2O]+ 220.08344 143.0
[M+HCOO]- 282.08438 175.4
[M+CH3COO]- 296.10003 201.2
[M+Na-2H]- 258.06085 153.5
[M]+ 237.08563 147.3
[M]- 237.08673 147.3
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.