CID 6887281

6419-33-6

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)N
InChI
InChI=1S/C13H12N4O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,14H2,(H,17,18)/b16-9+
InChIKey
AAEHLOISIGDVHC-CXUHLZMHSA-N
Compound name
N-[(E)-(4-aminophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 152.5
[M+Na]+ 263.090318 158.8
[M-H]- 239.093824 158.8
[M+NH4]+ 258.134923 167.8
[M+K]+ 279.064258 155.2
[M+H-H2O]+ 223.098360 143.3
[M+HCOO]- 285.099301 179.6
[M+CH3COO]- 299.114951 199.6
[M+Na-2H]- 261.075766 160.1
[M]+ 240.10055142 150.2
[M]- 240.10164858 150.2
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.