CID 481487

Chembl62396

Structural Information

Molecular Formula
C19H16N2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C19H16N2O4/c22-18-12-15-4-2-1-3-14(15)11-17(18)19(23)20-10-9-13-5-7-16(8-6-13)21(24)25/h1-8,11-12,22H,9-10H2,(H,20,23)
InChIKey
QBANLACWAGKATG-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[2-(4-nitrophenyl)ethyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.111 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 175.3
[M+Na]+ 359.10022 180.0
[M-H]- 335.10372 181.2
[M+NH4]+ 354.14482 187.4
[M+K]+ 375.07416 171.3
[M+H-H2O]+ 319.10826 171.0
[M+HCOO]- 381.10920 197.5
[M+CH3COO]- 395.12485 205.4
[M+Na-2H]- 357.08567 181.9
[M]+ 336.11045 173.5
[M]- 336.11155 173.5
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.