CID 9556371

Nsc698451

Structural Information

Molecular Formula
C32H27N5O2
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C32H27N5O2/c38-31(36-33-23-11-17-25-13-3-1-4-14-25)27-19-7-9-21-29(27)35-30-22-10-8-20-28(30)32(39)37-34-24-12-18-26-15-5-2-6-16-26/h1-24,35H,(H,36,38)(H,37,39)/b17-11+,18-12+,33-23+,34-24+
InChIKey
GJYVKGCNQSPMNZ-FLBAODLISA-N
Compound name
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.2165 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.22378 225.2
[M+Na]+ 536.20572 225.6
[M-H]- 512.20922 238.1
[M+NH4]+ 531.25032 229.2
[M+K]+ 552.17966 218.2
[M+H-H2O]+ 496.21376 211.1
[M+HCOO]- 558.21470 252.8
[M+CH3COO]- 572.23035 257.2
[M+Na-2H]- 534.19117 228.9
[M]+ 513.21595 222.7
[M]- 513.21705 222.7
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.