CID 6477564

Nsc690946

Structural Information

Molecular Formula
C23H18N2O4
SMILES
C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC=C2C(=O)O)\NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18N2O4/c26-21(17-11-5-2-6-12-17)25-20(15-16-9-3-1-4-10-16)22(27)24-19-14-8-7-13-18(19)23(28)29/h1-15H,(H,24,27)(H,25,26)(H,28,29)/b20-15-
InChIKey
KZHJCQDMLQBCSB-HKWRFOASSA-N
Compound name
2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13393 191.2
[M+Na]+ 409.11587 193.2
[M-H]- 385.11937 198.6
[M+NH4]+ 404.16047 199.5
[M+K]+ 425.08981 188.7
[M+H-H2O]+ 369.12391 181.1
[M+HCOO]- 431.12485 211.7
[M+CH3COO]- 445.14050 220.9
[M+Na-2H]- 407.10132 192.2
[M]+ 386.12610 187.9
[M]- 386.12720 187.9
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.