CID 9556365

Nsc698445

Structural Information

Molecular Formula
C28H23N5O2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C28H23N5O2/c34-27(32-29-19-21-11-3-1-4-12-21)23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)28(35)33-30-20-22-13-5-2-6-14-22/h1-20,31H,(H,32,34)(H,33,35)/b29-19+,30-20+
InChIKey
NCONKKMOBXPMEU-CZYCKNNWSA-N
Compound name
N-[(E)-benzylideneamino]-2-[2-[[(E)-benzylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.18518 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.19246 209.2
[M+Na]+ 484.17440 210.8
[M-H]- 460.17790 222.8
[M+NH4]+ 479.21900 215.4
[M+K]+ 500.14834 205.2
[M+H-H2O]+ 444.18244 195.8
[M+HCOO]- 506.18338 237.8
[M+CH3COO]- 520.19903 248.2
[M+Na-2H]- 482.15985 215.0
[M]+ 461.18463 207.1
[M]- 461.18573 207.1
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.