CID 11143173

(2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide

Structural Information

Molecular Formula
C20H22N2O5
SMILES
C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@H](CC3=CC(=CC=C3)O)CC(=O)NO)O
InChI
InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
InChIKey
VXDKQRWTOJFQKH-BJZITVGISA-N
Compound name
(2R)-N'-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(3-hydroxyphenyl)methyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

370.15286 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 184.4
[M+Na]+ 393.14208 187.1
[M-H]- 369.14558 187.6
[M+NH4]+ 388.18668 196.1
[M+K]+ 409.11602 183.4
[M+H-H2O]+ 353.15012 177.1
[M+HCOO]- 415.15106 201.6
[M+CH3COO]- 429.16671 215.5
[M+Na-2H]- 391.12753 183.7
[M]+ 370.15231 181.8
[M]- 370.15341 181.8
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.