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]+ 319.201616 180.9
[M+Na]+ 341.183558 182.0
[M-H]- 317.187064 183.2
[M+NH4]+ 336.228163 193.9
[M+K]+ 357.157498 181.1
[M+H-H2O]+ 301.191600 173.1
[M+HCOO]- 363.192541 199.8
[M+CH3COO]- 377.208191 215.9
[M+Na-2H]- 339.169006 177.6
[M]+ 318.19379142 180.8
[M]- 318.19488858 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

literature stripe

Patent stripe

No patent data available for this compound.