CID 626145

1039-83-4

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H12N2O3/c20-17-10-5-12-3-1-2-4-15(12)16(17)11-18-13-6-8-14(9-7-13)19(21)22/h1-11,20H
InChIKey
OFXWURJGINWIEW-UHFFFAOYSA-N
Compound name
1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

292.08478 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 163.6
[M+Na]+ 315.07400 170.3
[M-H]- 291.07750 171.4
[M+NH4]+ 310.11860 178.5
[M+K]+ 331.04794 161.6
[M+H-H2O]+ 275.08204 159.5
[M+HCOO]- 337.08298 188.9
[M+CH3COO]- 351.09863 199.0
[M+Na-2H]- 313.05945 172.6
[M]+ 292.08423 162.3
[M]- 292.08533 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.