CID 370455

Nsc643586

Structural Information

Molecular Formula
C17H16ClN3O3
SMILES
CC1=CC=C(C=C1)N(C(=O)CC(=O)NN)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C17H16ClN3O3/c1-11-6-8-12(9-7-11)21(16(23)10-15(22)20-19)17(24)13-4-2-3-5-14(13)18/h2-9H,10,19H2,1H3,(H,20,22)
InChIKey
WSMFPBFKZPOQBI-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-hydrazinyl-3-oxopropanoyl)-N-(4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.088 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09528 180.2
[M+Na]+ 368.07722 185.6
[M-H]- 344.08072 187.7
[M+NH4]+ 363.12182 193.4
[M+K]+ 384.05116 182.2
[M+H-H2O]+ 328.08526 172.4
[M+HCOO]- 390.08620 200.3
[M+CH3COO]- 404.10185 219.5
[M+Na-2H]- 366.06267 180.6
[M]+ 345.08745 181.9
[M]- 345.08855 181.9
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.