CID 135822065

3-chloro-n-(2-(2-(3-ethoxy-4-hydroxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H18ClN3O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C18H18ClN3O4/c1-2-26-16-8-12(6-7-15(16)23)10-21-22-17(24)11-20-18(25)13-4-3-5-14(19)9-13/h3-10,23H,2,11H2,1H3,(H,20,25)(H,22,24)/b21-10+
InChIKey
SNTVBVOAVZRGEU-UFFVCSGVSA-N
Compound name
3-chloro-N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09857 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10585 187.0
[M+Na]+ 398.08779 197.7
[M+NH4]+ 393.13239 192.2
[M+K]+ 414.06173 191.3
[M-H]- 374.09129 190.6
[M+Na-2H]- 396.07324 193.1
[M]+ 375.09802 189.4
[M]- 375.09912 189.4
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.