CID 4232832

1-(2-methoxy-5-nitrophenyliminomethyl)-2-naphthol

Structural Information

Molecular Formula
C18H14N2O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H14N2O4/c1-24-18-9-7-13(20(22)23)10-16(18)19-11-15-14-5-3-2-4-12(14)6-8-17(15)21/h2-11,21H,1H3
InChIKey
HVGMKVXPEQPORW-UHFFFAOYSA-N
Compound name
1-[(2-methoxy-5-nitrophenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.9
[M+Na]+ 345.08459 178.7
[M-H]- 321.08809 179.7
[M+NH4]+ 340.12919 185.7
[M+K]+ 361.05853 170.5
[M+H-H2O]+ 305.09263 167.4
[M+HCOO]- 367.09357 196.9
[M+CH3COO]- 381.10922 205.4
[M+Na-2H]- 343.07004 179.8
[M]+ 322.09482 172.6
[M]- 322.09592 172.6
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.