CID 5493586

Nsc698453

Structural Information

Molecular Formula
C32H31N5O2
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C(/C)\C4=CC=C(C=C4)C)/C
InChI
InChI=1S/C32H31N5O2/c1-21-13-17-25(18-14-21)23(3)34-36-31(38)27-9-5-7-11-29(27)33-30-12-8-6-10-28(30)32(39)37-35-24(4)26-19-15-22(2)16-20-26/h5-20,33H,1-4H3,(H,36,38)(H,37,39)/b34-23-,35-24+
InChIKey
DLHOFGXRAAUKLY-MHCOGVSMSA-N
Compound name
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.2478 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.25508 230.1
[M+Na]+ 540.23702 230.9
[M-H]- 516.24052 243.9
[M+NH4]+ 535.28162 234.4
[M+K]+ 556.21096 226.3
[M+H-H2O]+ 500.24506 216.6
[M+HCOO]- 562.24600 255.3
[M+CH3COO]- 576.26165 263.9
[M+Na-2H]- 538.22247 229.9
[M]+ 517.24725 228.9
[M]- 517.24835 228.9
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.