CID 3117694

331636-31-8

Structural Information

Molecular Formula
C17H16ClN3O4
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC(=CC=C2)OC)Cl
InChI
InChI=1S/C17H16ClN3O4/c1-10-6-7-12(9-14(10)18)19-16(23)17(24)21-20-15(22)11-4-3-5-13(8-11)25-2/h3-9H,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKey
WSIIRBQCPVISIB-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

361.08295 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09023 182.7
[M+Na]+ 384.07217 188.8
[M-H]- 360.07567 189.8
[M+NH4]+ 379.11677 195.3
[M+K]+ 400.04611 185.2
[M+H-H2O]+ 344.08021 175.0
[M+HCOO]- 406.08115 203.2
[M+CH3COO]- 420.09680 219.0
[M+Na-2H]- 382.05762 184.3
[M]+ 361.08240 185.7
[M]- 361.08350 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe