CID 59798

Bidisomide

Structural Information

Molecular Formula
C22H34ClN3O2
SMILES
CC(C)N(CCC(CCN1CCCCC1)(C2=CC=CC=C2Cl)C(=O)N)C(=O)C
InChI
InChI=1S/C22H34ClN3O2/c1-17(2)26(18(3)27)16-12-22(21(24)28,19-9-5-6-10-20(19)23)11-15-25-13-7-4-8-14-25/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3,(H2,24,28)
InChIKey
GTEPPJFJSNSNIH-UHFFFAOYSA-N
Compound name
2-[2-[acetyl(propan-2-yl)amino]ethyl]-2-(2-chlorophenyl)-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

488
Patents

407.23395 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.241226 201.2
[M+Na]+ 430.223168 201.4
[M-H]- 406.226674 205.1
[M+NH4]+ 425.267773 210.4
[M+K]+ 446.197108 197.6
[M+H-H2O]+ 390.231210 192.4
[M+HCOO]- 452.232151 211.0
[M+CH3COO]- 466.247801 231.7
[M+Na-2H]- 428.208616 197.8
[M]+ 407.23340142 200.0
[M]- 407.23449858 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe