CID 16077256

Pyrrolidine carboxamide compound s15

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CC(C)CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C21H30N2O2/c1-15(2)11-16-7-6-8-18(12-16)22-21(25)17-13-20(24)23(14-17)19-9-4-3-5-10-19/h6-8,12,15,17,19H,3-5,9-11,13-14H2,1-2H3,(H,22,25)
InChIKey
JFZBUJHBTQRAER-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[3-(2-methylpropyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 186.0
[M+Na]+ 365.21996 187.3
[M-H]- 341.22346 192.6
[M+NH4]+ 360.26456 198.7
[M+K]+ 381.19390 183.1
[M+H-H2O]+ 325.22800 176.6
[M+HCOO]- 387.22894 201.4
[M+CH3COO]- 401.24459 215.1
[M+Na-2H]- 363.20541 181.2
[M]+ 342.23019 179.6
[M]- 342.23129 179.6
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

No patent data available for this compound.