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]+ 307.165236 172.4
[M+Na]+ 329.147178 174.8
[M-H]- 305.150684 175.4
[M+NH4]+ 324.191783 185.7
[M+K]+ 345.121118 172.8
[M+H-H2O]+ 289.155220 164.0
[M+HCOO]- 351.156161 190.4
[M+CH3COO]- 365.171811 203.4
[M+Na-2H]- 327.132626 170.9
[M]+ 306.15741142 170.7
[M]- 306.15850858 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.