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

4
Patents

358.15286 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16014 182.9
[M+Na]+ 381.14208 188.7
[M+NH4]+ 376.18668 186.9
[M+K]+ 397.11602 190.0
[M-H]- 357.14558 181.9
[M+Na-2H]- 379.12753 184.2
[M]+ 358.15231 182.7
[M]- 358.15341 182.7
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

patents stripe