CID 5276349

(2s,3s,4s)-1-benzoyl-3,4-dihydroxy-n-(1,1,3,3-tetramethylbutyl)pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CC(C)(C)CC(C)(C)NC(=O)[C@@H]1[C@@H]([C@H](CN1C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C20H30N2O4/c1-19(2,3)12-20(4,5)21-17(25)15-16(24)14(23)11-22(15)18(26)13-9-7-6-8-10-13/h6-10,14-16,23-24H,11-12H2,1-5H3,(H,21,25)/t14-,15-,16+/m0/s1
InChIKey
YCAOWOWDMWVMFP-HRCADAONSA-N
Compound name
(2S,3S,4S)-1-benzoyl-3,4-dihydroxy-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.22055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 188.4
[M+Na]+ 385.20977 191.7
[M-H]- 361.21327 190.8
[M+NH4]+ 380.25437 200.0
[M+K]+ 401.18371 189.0
[M+H-H2O]+ 345.21781 182.1
[M+HCOO]- 407.21875 201.4
[M+CH3COO]- 421.23440 214.3
[M+Na-2H]- 383.19522 187.0
[M]+ 362.22000 186.7
[M]- 362.22110 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.