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

6
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 183.1
[M+Na]+ 381.14208 186.4
[M-H]- 357.14558 185.4
[M+NH4]+ 376.18668 196.0
[M+K]+ 397.11602 182.9
[M+H-H2O]+ 341.15012 176.7
[M+HCOO]- 403.15106 198.5
[M+CH3COO]- 417.16671 208.3
[M+Na-2H]- 379.12753 183.0
[M]+ 358.15231 181.9
[M]- 358.15341 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