CID 135750102

Brn 5556362

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C(C(=C1)/C=C/C=NC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H12N2O3/c18-15-6-2-1-4-12(15)5-3-11-16-13-7-9-14(10-8-13)17(19)20/h1-11,18H/b5-3+,16-11?
InChIKey
NTIGHUWOFDEQGD-SQMWIMCZSA-N
Compound name
2-[(E)-3-(4-nitrophenyl)iminoprop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 159.8
[M+Na]+ 291.07400 174.1
[M+NH4]+ 286.11860 167.4
[M+K]+ 307.04794 168.7
[M-H]- 267.07750 165.6
[M+Na-2H]- 289.05945 168.5
[M]+ 268.08423 163.3
[M]- 268.08533 163.3
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.