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]+ 319.201616 181.0
[M+Na]+ 341.183558 182.3
[M-H]- 317.187064 183.2
[M+NH4]+ 336.228163 194.0
[M+K]+ 357.157498 180.7
[M+H-H2O]+ 301.191600 173.0
[M+HCOO]- 363.192541 200.9
[M+CH3COO]- 377.208191 214.9
[M+Na-2H]- 339.169006 178.9
[M]+ 318.19379142 181.5
[M]- 318.19488858 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

literature stripe

Patent stripe

No patent data available for this compound.