CID 194777

Methylamino-phenylalanyl-leucyl-hydroxamic acid

Structural Information

Molecular Formula
C18H27N3O4
SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC
InChI
InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
InChIKey
MOPRTFSMCQNUCT-CABCVRRESA-N
Compound name
(2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

25
Patents

349.20016 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.20744 187.6
[M+Na]+ 372.18938 187.2
[M-H]- 348.19288 188.3
[M+NH4]+ 367.23398 198.1
[M+K]+ 388.16332 186.4
[M+H-H2O]+ 332.19742 179.2
[M+HCOO]- 394.19836 206.1
[M+CH3COO]- 408.21401 220.5
[M+Na-2H]- 370.17483 184.2
[M]+ 349.19961 186.1
[M]- 349.20071 186.1
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