CID 52915756

Lassbio-1524

Structural Information

Molecular Formula
C18H13N3O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKey
RUQCGNRXDVIDAJ-XDHOZWIPSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

319.0957 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10298 169.9
[M+Na]+ 342.08492 174.7
[M-H]- 318.08842 178.3
[M+NH4]+ 337.12952 183.5
[M+K]+ 358.05886 166.5
[M+H-H2O]+ 302.09296 164.9
[M+HCOO]- 364.09390 196.4
[M+CH3COO]- 378.10955 207.5
[M+Na-2H]- 340.07037 178.9
[M]+ 319.09515 168.1
[M]- 319.09625 168.1
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

patents stripe