CID 71587564

167105-80-8

Structural Information

Molecular Formula
C19H22N2O5
SMILES
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)NC(CO)(CO)CO
InChI
InChI=1S/C19H22N2O5/c22-10-19(11-23,12-24)20-18(26)14-8-9-21-15(14)6-7-16(21)17(25)13-4-2-1-3-5-13/h1-7,14,22-24H,8-12H2,(H,20,26)
InChIKey
QYIXDZZHVVTARJ-UHFFFAOYSA-N
Compound name
5-benzoyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

358.15286 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.160136 183.1
[M+Na]+ 381.142078 186.4
[M-H]- 357.145584 185.4
[M+NH4]+ 376.186683 196.0
[M+K]+ 397.116018 182.9
[M+H-H2O]+ 341.150120 176.7
[M+HCOO]- 403.151061 198.5
[M+CH3COO]- 417.166711 208.3
[M+Na-2H]- 379.127526 183.0
[M]+ 358.15231142 181.9
[M]- 358.15340858 181.9
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

patents stripe