CID 68566

Disobutamide

Structural Information

Molecular Formula
C23H38ClN3O
SMILES
CC(C)N(CCC(CCN1CCCCC1)(C2=CC=CC=C2Cl)C(=O)N)C(C)C
InChI
InChI=1S/C23H38ClN3O/c1-18(2)27(19(3)4)17-13-23(22(25)28,20-10-6-7-11-21(20)24)12-16-26-14-8-5-9-15-26/h6-7,10-11,18-19H,5,8-9,12-17H2,1-4H3,(H2,25,28)
InChIKey
YKFWMDHZMQLWBO-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-[2-[di(propan-2-yl)amino]ethyl]-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

364
Patents

407.27036 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.277636 203.8
[M+Na]+ 430.259578 203.4
[M-H]- 406.263084 207.4
[M+NH4]+ 425.304183 213.2
[M+K]+ 446.233518 199.3
[M+H-H2O]+ 390.267620 194.9
[M+HCOO]- 452.268561 212.8
[M+CH3COO]- 466.284211 234.0
[M+Na-2H]- 428.245026 199.7
[M]+ 407.26981142 202.4
[M]- 407.27090858 202.4
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