CID 9626327

N-(2-(2-(3-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)-2-chlorobenzamide

Structural Information

Molecular Formula
C23H20ClN3O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)CNC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H20ClN3O3/c24-21-12-5-4-11-20(21)23(29)25-15-22(28)27-26-14-18-9-6-10-19(13-18)30-16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-14+
InChIKey
BLRCQBDVZMLZDQ-VULFUBBASA-N
Compound name
2-chloro-N-[2-oxo-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.11932 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12660 200.5
[M+Na]+ 444.10854 204.8
[M-H]- 420.11204 210.5
[M+NH4]+ 439.15314 210.1
[M+K]+ 460.08248 198.9
[M+H-H2O]+ 404.11658 190.0
[M+HCOO]- 466.11752 222.1
[M+CH3COO]- 480.13317 231.8
[M+Na-2H]- 442.09399 203.8
[M]+ 421.11877 203.7
[M]- 421.11987 203.7
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.