CID 3000676

Nsc632949

Structural Information

Molecular Formula
C16H15ClN4O2
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C(\C2=CC=C(C=C2)Cl)/N)/C(=O)NN
InChI
InChI=1S/C16H15ClN4O2/c17-12-8-6-10(7-9-12)13(18)14(16(23)21-19)20-15(22)11-4-2-1-3-5-11/h1-9H,18-19H2,(H,20,22)(H,21,23)/b14-13+
InChIKey
GDROIRRDKDPMSV-BUHFOSPRSA-N
Compound name
N-[(E)-1-amino-1-(4-chlorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09563 176.9
[M+Na]+ 353.07757 180.7
[M-H]- 329.08107 182.2
[M+NH4]+ 348.12217 189.1
[M+K]+ 369.05151 175.8
[M+H-H2O]+ 313.08561 169.2
[M+HCOO]- 375.08655 196.0
[M+CH3COO]- 389.10220 215.7
[M+Na-2H]- 351.06302 177.4
[M]+ 330.08780 172.9
[M]- 330.08890 172.9
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.