CID 131057

Leuhistin

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)C[C@@H]([C@](CC1=CN=CN1)(C(=O)O)O)N
InChI
InChI=1S/C11H19N3O3/c1-7(2)3-9(12)11(17,10(15)16)4-8-5-13-6-14-8/h5-7,9,17H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)/t9-,11+/m0/s1
InChIKey
WZFDNGAENBEYMA-GXSJLCMTSA-N
Compound name
(2R,3S)-3-amino-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

157
Patents

241.14264 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 155.7
[M+Na]+ 264.13186 160.5
[M+NH4]+ 259.17646 159.1
[M+K]+ 280.10580 161.9
[M-H]- 240.13536 151.7
[M+Na-2H]- 262.11731 155.9
[M]+ 241.14209 154.5
[M]- 241.14319 154.5
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

patents stripe