CID 5466242

Nsc682572

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
C1=CC=C(C=C1)C(=NNC(=O)C(=O)/C=C(/C2=CC=C(C=C2)Cl)\O)C3=CC=CC=C3
InChI
InChI=1S/C23H17ClN2O3/c24-19-13-11-16(12-14-19)20(27)15-21(28)23(29)26-25-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,27H,(H,26,29)/b20-15-
InChIKey
YVHAVORDFUTNNI-HKWRFOASSA-N
Compound name
(Z)-N-(benzhydrylideneamino)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.09277 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 195.3
[M+Na]+ 427.08199 198.9
[M-H]- 403.08549 204.0
[M+NH4]+ 422.12659 204.8
[M+K]+ 443.05593 192.6
[M+H-H2O]+ 387.09003 185.9
[M+HCOO]- 449.09097 212.8
[M+CH3COO]- 463.10662 224.3
[M+Na-2H]- 425.06744 196.2
[M]+ 404.09222 195.2
[M]- 404.09332 195.2
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.