CID 455776

Npr-co-val-phe-h

Structural Information

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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 181.0
[M+Na]+ 341.18356 182.3
[M-H]- 317.18706 183.2
[M+NH4]+ 336.22816 194.0
[M+K]+ 357.15750 180.7
[M+H-H2O]+ 301.19160 173.0
[M+HCOO]- 363.19254 200.9
[M+CH3COO]- 377.20819 214.9
[M+Na-2H]- 339.16901 178.9
[M]+ 318.19379 181.5
[M]- 318.19489 181.5
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.