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 189.8
[M+Na]+ 391.15475 192.8
[M-H]- 367.15825 197.5
[M+NH4]+ 386.19935 200.8
[M+K]+ 407.12869 186.8
[M+H-H2O]+ 351.16279 179.7
[M+HCOO]- 413.16373 202.0
[M+CH3COO]- 427.17938 218.7
[M+Na-2H]- 389.14020 191.1
[M]+ 368.16498 187.2
[M]- 368.16608 187.2
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.