CID 3035813

148274-76-4

Structural Information

Molecular Formula
C17H25N3O2
SMILES
C1CC(=O)N(C1)CC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H25N3O2/c21-16(14-20-8-4-7-17(20)22)13-18-9-11-19(12-10-18)15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2
InChIKey
AFBKGQPVUQUMRC-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

90
Patents

303.19467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.201946 174.6
[M+Na]+ 326.183888 177.0
[M-H]- 302.187394 177.2
[M+NH4]+ 321.228493 185.4
[M+K]+ 342.157828 172.6
[M+H-H2O]+ 286.191930 163.8
[M+HCOO]- 348.192871 186.8
[M+CH3COO]- 362.208521 200.6
[M+Na-2H]- 324.169336 172.4
[M]+ 303.19412142 167.6
[M]- 303.19521858 167.6
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

patents stripe