CID 5386450

Nsc631513

Structural Information

Molecular Formula
C25H16N2O2
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)/N=C\3/C4=CC=CC5=C4C(=CC=C5)C3=O
InChI
InChI=1S/C25H16N2O2/c28-24-21-16-8-12-17-11-7-15-20(22(17)21)23(24)26-27(19-13-5-2-6-14-19)25(29)18-9-3-1-4-10-18/h1-16H/b26-23-
InChIKey
OPBUSKZYWVXEMD-RWEWTDSWSA-N
Compound name
N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1212 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12848 188.5
[M+Na]+ 399.11042 194.6
[M-H]- 375.11392 201.6
[M+NH4]+ 394.15502 203.9
[M+K]+ 415.08436 189.3
[M+H-H2O]+ 359.11846 178.1
[M+HCOO]- 421.11940 212.8
[M+CH3COO]- 435.13505 199.3
[M+Na-2H]- 397.09587 192.9
[M]+ 376.12065 189.8
[M]- 376.12175 189.8
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.