CID 6908376

Akos024280797

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC=NC=C2)N
InChI
InChI=1S/C13H12N4O/c14-12-3-1-11(2-4-12)13(18)17-16-9-10-5-7-15-8-6-10/h1-9H,14H2,(H,17,18)/b16-9+
InChIKey
KOPAMIPIWKJYGK-CXUHLZMHSA-N
Compound name
4-amino-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
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]+ 241.10838 152.5
[M+Na]+ 263.09032 158.8
[M-H]- 239.09382 158.8
[M+NH4]+ 258.13492 167.8
[M+K]+ 279.06426 155.2
[M+H-H2O]+ 223.09836 143.3
[M+HCOO]- 285.09930 179.6
[M+CH3COO]- 299.11495 199.6
[M+Na-2H]- 261.07577 160.1
[M]+ 240.10055 150.2
[M]- 240.10165 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.