CID 15958391

Chembl378480

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC=C3N)OC4CCCC4
InChI
InChI=1S/C22H26N2O3/c1-26-20-11-10-15(12-21(20)27-17-6-2-3-7-17)16-13-22(25)24(14-16)19-9-5-4-8-18(19)23/h4-5,8-12,16-17H,2-3,6-7,13-14,23H2,1H3/t16-/m0/s1
InChIKey
MQQUGANPEOPTLR-INIZCTEOSA-N
Compound name
(4R)-1-(2-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.201616 187.3
[M+Na]+ 389.183558 192.1
[M-H]- 365.187064 198.4
[M+NH4]+ 384.228163 200.9
[M+K]+ 405.157498 187.4
[M+H-H2O]+ 349.191600 178.0
[M+HCOO]- 411.192541 207.4
[M+CH3COO]- 425.208191 197.1
[M+Na-2H]- 387.169006 182.7
[M]+ 366.19379142 184.4
[M]- 366.19488858 184.4
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.