CID 1550513

Nsc686138

Structural Information

Molecular Formula
C24H20N2O3
SMILES
CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3)/O
InChI
InChI=1S/C24H20N2O3/c1-17-12-14-18(15-13-17)21(27)16-22(28)24(29)26-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,27H,1H3,(H,26,29)/b21-16-
InChIKey
UDVZPZGWJUSKQE-PGMHBOJBSA-N
Compound name
(Z)-N-(benzhydrylideneamino)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1474 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15468 193.2
[M+Na]+ 407.13662 195.5
[M-H]- 383.14012 201.8
[M+NH4]+ 402.18122 202.5
[M+K]+ 423.11056 190.7
[M+H-H2O]+ 367.14466 182.8
[M+HCOO]- 429.14560 214.7
[M+CH3COO]- 443.16125 223.7
[M+Na-2H]- 405.12207 194.0
[M]+ 384.14685 190.7
[M]- 384.14795 190.7
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.