CID 16072554

1-cyclohexyl-n-(9-ethyl-9h-carbazol-3-yl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C25H29N3O2
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4CCCCC4)C5=CC=CC=C51
InChI
InChI=1S/C25H29N3O2/c1-2-27-22-11-7-6-10-20(22)21-15-18(12-13-23(21)27)26-25(30)17-14-24(29)28(16-17)19-8-4-3-5-9-19/h6-7,10-13,15,17,19H,2-5,8-9,14,16H2,1H3,(H,26,30)
InChIKey
CHRORNOPUHXOJZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.22598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.23326 198.5
[M+Na]+ 426.21520 203.3
[M-H]- 402.21870 206.9
[M+NH4]+ 421.25980 211.4
[M+K]+ 442.18914 196.6
[M+H-H2O]+ 386.22324 188.6
[M+HCOO]- 448.22418 213.7
[M+CH3COO]- 462.23983 206.6
[M+Na-2H]- 424.20065 194.9
[M]+ 403.22543 195.2
[M]- 403.22653 195.2
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.