CID 511112

(2s)-2-[(3as,6s,6ar)-6-methyl-5-oxo-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrole-1-carbonyl]-n-(4-isopropylphenyl)pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C22H30N4O3
SMILES
C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=C(C=C4)C(C)C)NC1=O
InChI
InChI=1S/C22H30N4O3/c1-13(2)15-6-8-16(9-7-15)23-22(29)25-11-4-5-18(25)21(28)26-12-10-17-19(26)14(3)20(27)24-17/h6-9,13-14,17-19H,4-5,10-12H2,1-3H3,(H,23,29)(H,24,27)/t14-,17-,18-,19+/m0/s1
InChIKey
GULWWYWVYSYBDS-UDTPNQRGSA-N
Compound name
(2S)-2-[(3aS,6S,6aR)-6-methyl-5-oxo-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrole-1-carbonyl]-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.23178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23906 199.2
[M+Na]+ 421.22100 201.9
[M-H]- 397.22450 204.9
[M+NH4]+ 416.26560 211.2
[M+K]+ 437.19494 197.9
[M+H-H2O]+ 381.22904 191.3
[M+HCOO]- 443.22998 211.0
[M+CH3COO]- 457.24563 222.8
[M+Na-2H]- 419.20645 189.0
[M]+ 398.23123 194.1
[M]- 398.23233 194.1
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.