CID 3076615

131962-73-7

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CN(CCOCC(C1=CC=CC=C1)O)C(=O)C2CCC(=O)N2
InChI
InChI=1S/C16H22N2O4/c1-18(16(21)13-7-8-15(20)17-13)9-10-22-11-14(19)12-5-3-2-4-6-12/h2-6,13-14,19H,7-11H2,1H3,(H,17,20)
InChIKey
BXAQKALRPZNHEI-UHFFFAOYSA-N
Compound name
N-[2-(2-hydroxy-2-phenylethoxy)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 172.4
[M+Na]+ 329.14718 174.8
[M-H]- 305.15068 175.4
[M+NH4]+ 324.19178 185.7
[M+K]+ 345.12112 172.8
[M+H-H2O]+ 289.15522 164.0
[M+HCOO]- 351.15616 190.4
[M+CH3COO]- 365.17181 203.4
[M+Na-2H]- 327.13263 170.9
[M]+ 306.15741 170.7
[M]- 306.15851 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.