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]+ 358.095276 184.0
[M+Na]+ 380.077218 188.4
[M-H]- 356.080724 191.0
[M+NH4]+ 375.121823 196.3
[M+K]+ 396.051158 184.0
[M+H-H2O]+ 340.085260 175.8
[M+HCOO]- 402.086201 204.0
[M+CH3COO]- 416.101851 219.7
[M+Na-2H]- 378.062666 184.6
[M]+ 357.08745142 184.8
[M]- 357.08854858 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.