CID 457314

3-hydroxy-n-[(3-nitrophenyl)methyl]naphthalene-2-carboxamide

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C18H14N2O4/c21-17-10-14-6-2-1-5-13(14)9-16(17)18(22)19-11-12-4-3-7-15(8-12)20(23)24/h1-10,21H,11H2,(H,19,22)
InChIKey
RJSWLDBJUCRYQT-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[(3-nitrophenyl)methyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 170.5
[M+Na]+ 345.08459 175.7
[M-H]- 321.08809 176.7
[M+NH4]+ 340.12919 183.2
[M+K]+ 361.05853 167.2
[M+H-H2O]+ 305.09263 166.4
[M+HCOO]- 367.09357 193.1
[M+CH3COO]- 381.10922 202.4
[M+Na-2H]- 343.07004 177.7
[M]+ 322.09482 168.5
[M]- 322.09592 168.5
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.