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]+ 371.061576 186.9
[M+Na]+ 393.043518 194.6
[M-H]- 369.047024 198.2
[M+NH4]+ 388.088123 202.1
[M+K]+ 409.017458 187.9
[M+H-H2O]+ 353.051560 178.8
[M+HCOO]- 415.052501 205.5
[M+CH3COO]- 429.068151 216.5
[M+Na-2H]- 391.028966 187.9
[M]+ 370.05375142 192.5
[M]- 370.05484858 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.