CID 16077270

Chembl217069

Structural Information

Molecular Formula
C22H36N2O2
SMILES
CC1(C2CCC1(C(C2)(C)NC(=O)C3CC(=O)N(C3)C4CCCCC4)C)C
InChI
InChI=1S/C22H36N2O2/c1-20(2)16-10-11-21(20,3)22(4,13-16)23-19(26)15-12-18(25)24(14-15)17-8-6-5-7-9-17/h15-17H,5-14H2,1-4H3,(H,23,26)
InChIKey
UCFMNAYGTGRZRO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-oxo-N-(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.27768 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28496 189.3
[M+Na]+ 383.26690 193.2
[M-H]- 359.27040 196.0
[M+NH4]+ 378.31150 212.7
[M+K]+ 399.24084 188.6
[M+H-H2O]+ 343.27494 184.0
[M+HCOO]- 405.27588 202.1
[M+CH3COO]- 419.29153 217.5
[M+Na-2H]- 381.25235 184.4
[M]+ 360.27713 183.7
[M]- 360.27823 183.7
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.