CID 15958382

Chembl378149

Structural Information

Molecular Formula
C23H28N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)CC3=CC(=CC=C3)N)OC4CCCC4
InChI
InChI=1S/C23H28N2O3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)14-16-5-4-6-19(24)11-16/h4-6,9-12,18,20H,2-3,7-8,13-15,24H2,1H3/t18-/m0/s1
InChIKey
AJEUPSQDAZSQNO-SFHVURJKSA-N
Compound name
(4R)-1-[(3-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 191.7
[M+Na]+ 403.19922 196.0
[M-H]- 379.20272 202.5
[M+NH4]+ 398.24382 204.6
[M+K]+ 419.17316 191.0
[M+H-H2O]+ 363.20726 182.2
[M+HCOO]- 425.20820 211.4
[M+CH3COO]- 439.22385 201.0
[M+Na-2H]- 401.18467 186.6
[M]+ 380.20945 189.0
[M]- 380.21055 189.0
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.