CID 27799

Benzamide, o-chloro-n-(alpha-(1-methyl-1-piperidinoethyl)benzilidene)-, monohydrochloride

Structural Information

Molecular Formula
C22H25ClN2O
SMILES
CC(C)(C(=NC(=O)C1=CC=CC=C1Cl)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C22H25ClN2O/c1-22(2,25-15-9-4-10-16-25)20(17-11-5-3-6-12-17)24-21(26)18-13-7-8-14-19(18)23/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3
InChIKey
YHQVFJPHFTVWAD-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methyl-1-phenyl-2-piperidin-1-ylpropylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16553 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17281 190.2
[M+Na]+ 391.15475 203.5
[M+NH4]+ 386.19935 198.2
[M+K]+ 407.12869 194.9
[M-H]- 367.15825 196.2
[M+Na-2H]- 389.14020 199.6
[M]+ 368.16498 194.1
[M]- 368.16608 194.1
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.