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]+ 323.102646 171.9
[M+Na]+ 345.084588 178.7
[M-H]- 321.088094 179.7
[M+NH4]+ 340.129193 185.7
[M+K]+ 361.058528 170.5
[M+H-H2O]+ 305.092630 167.4
[M+HCOO]- 367.093571 196.9
[M+CH3COO]- 381.109221 205.4
[M+Na-2H]- 343.070036 179.8
[M]+ 322.09482142 172.6
[M]- 322.09591858 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.