CID 45054590

2-((4-chlorobenzyl)oxy)-n'-(2-thienylmethylene)benzohydrazide

Structural Information

Molecular Formula
C19H15ClN2O2S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=CS2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2O2S/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-25-16/h1-12H,13H2,(H,22,23)/b21-12+
InChIKey
XDIJUDXSHWABSW-CIAFOILYSA-N
Compound name
2-[(4-chlorophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0543 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06158 186.9
[M+Na]+ 393.04352 194.6
[M-H]- 369.04702 198.2
[M+NH4]+ 388.08812 202.1
[M+K]+ 409.01746 187.9
[M+H-H2O]+ 353.05156 178.8
[M+HCOO]- 415.05250 205.5
[M+CH3COO]- 429.06815 216.5
[M+Na-2H]- 391.02897 187.9
[M]+ 370.05375 192.5
[M]- 370.05485 192.5
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.