CID 3075723

1-(3-(((4-chlorophenyl)methyl)amino)-2-hydroxypropyl)-2-pyrrolidinone monohydrochloride

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
C1CC(=O)N(C1)CC(CNCC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H19ClN2O2/c15-12-5-3-11(4-6-12)8-16-9-13(18)10-17-7-1-2-14(17)19/h3-6,13,16,18H,1-2,7-10H2
InChIKey
PXTWJOJJTKNJBO-UHFFFAOYSA-N
Compound name
1-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 164.7
[M+Na]+ 305.10272 175.0
[M+NH4]+ 300.14732 171.9
[M+K]+ 321.07666 170.2
[M-H]- 281.10622 166.9
[M+Na-2H]- 303.08817 169.6
[M]+ 282.11295 166.7
[M]- 282.11405 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.