CID 15958390

Chembl376991

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1=C(C=CC=C1N2C[C@H](CC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4)N
InChI
InChI=1S/C23H28N2O3/c1-15-19(24)8-5-9-20(15)25-14-17(13-23(25)26)16-10-11-21(27-2)22(12-16)28-18-6-3-4-7-18/h5,8-12,17-18H,3-4,6-7,13-14,24H2,1-2H3/t17-/m0/s1
InChIKey
QLWHJXUNICSGMI-KRWDZBQOSA-N
Compound name
(4R)-1-(3-amino-2-methylphenyl)-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 192.1
[M+Na]+ 403.19922 197.4
[M-H]- 379.20272 203.4
[M+NH4]+ 398.24382 205.4
[M+K]+ 419.17316 192.4
[M+H-H2O]+ 363.20726 183.0
[M+HCOO]- 425.20820 211.8
[M+CH3COO]- 439.22385 221.6
[M+Na-2H]- 401.18467 186.4
[M]+ 380.20945 189.9
[M]- 380.21055 189.9
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.