CID 9588332

Amidrazone of 2-anilinonicotinic acid

Structural Information

Molecular Formula
C12H13N5
SMILES
C1=CC=C(C=C1)NC2=C(C=CC=N2)/C(=N\N)/N
InChI
InChI=1S/C12H13N5/c13-11(17-14)10-7-4-8-15-12(10)16-9-5-2-1-3-6-9/h1-8H,14H2,(H2,13,17)(H,15,16)
InChIKey
CSBWWFFVLHEGGF-UHFFFAOYSA-N
Compound name
N'-amino-2-anilinopyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 148.4
[M+Na]+ 250.10632 154.1
[M-H]- 226.10982 154.3
[M+NH4]+ 245.15092 163.7
[M+K]+ 266.08026 150.4
[M+H-H2O]+ 210.11436 139.3
[M+HCOO]- 272.11530 175.8
[M+CH3COO]- 286.13095 200.6
[M+Na-2H]- 248.09177 156.1
[M]+ 227.11655 143.5
[M]- 227.11765 143.5
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.