CID 455777

Ipr-co-val-phe-h

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)C(C)C
InChI
InChI=1S/C18H26N2O3/c1-12(2)16(20-17(22)13(3)4)18(23)19-15(11-21)10-14-8-6-5-7-9-14/h5-9,11-13,15-16H,10H2,1-4H3,(H,19,23)(H,20,22)/t15-,16-/m0/s1
InChIKey
TWAIEGLNAQPERA-HOTGVXAUSA-N
Compound name
(2S)-3-methyl-2-(2-methylpropanoylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 180.9
[M+Na]+ 341.18356 182.0
[M-H]- 317.18706 183.2
[M+NH4]+ 336.22816 193.9
[M+K]+ 357.15750 181.1
[M+H-H2O]+ 301.19160 173.1
[M+HCOO]- 363.19254 199.8
[M+CH3COO]- 377.20819 215.9
[M+Na-2H]- 339.16901 177.6
[M]+ 318.19379 180.8
[M]- 318.19489 180.8
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.