CID 9574646

Stk325561

Structural Information

Molecular Formula
C14H12N4O3
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O3/c15-12-5-3-11(4-6-12)14(19)17-16-9-10-1-7-13(8-2-10)18(20)21/h1-9H,15H2,(H,17,19)/b16-9+
InChIKey
PFJOKYASHWTFHI-CXUHLZMHSA-N
Compound name
4-amino-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 160.2
[M+Na]+ 307.08016 164.9
[M-H]- 283.08366 167.8
[M+NH4]+ 302.12476 174.0
[M+K]+ 323.05410 157.8
[M+H-H2O]+ 267.08820 155.8
[M+HCOO]- 329.08914 188.9
[M+CH3COO]- 343.10479 202.0
[M+Na-2H]- 305.06561 167.5
[M]+ 284.09039 156.7
[M]- 284.09149 156.7
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.