CID 5468132

Nsc664872

Structural Information

Molecular Formula
C18H16ClN3O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)NN
InChI
InChI=1S/C18H16ClN3O3/c19-14-7-9-15(10-8-14)22(18(25)12-16(23)21-20)17(24)11-6-13-4-2-1-3-5-13/h1-11H,12,20H2,(H,21,23)/b11-6+
InChIKey
OSCSFXQTNKKJOP-IZZDOVSWSA-N
Compound name
N-(4-chlorophenyl)-3-hydrazinyl-3-oxo-N-[(E)-3-phenylprop-2-enoyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.088 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09528 184.0
[M+Na]+ 380.07722 188.4
[M-H]- 356.08072 191.0
[M+NH4]+ 375.12182 196.3
[M+K]+ 396.05116 184.0
[M+H-H2O]+ 340.08526 175.8
[M+HCOO]- 402.08620 204.0
[M+CH3COO]- 416.10185 219.7
[M+Na-2H]- 378.06267 184.6
[M]+ 357.08745 184.8
[M]- 357.08855 184.8
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.