CID 455775

Me-co-val-phe-h

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)C
InChI
InChI=1S/C16H22N2O3/c1-11(2)15(17-12(3)20)16(21)18-14(10-19)9-13-7-5-4-6-8-13/h4-8,10-11,14-15H,9H2,1-3H3,(H,17,20)(H,18,21)/t14-,15-/m0/s1
InChIKey
SWPSQFFSLYUODN-GJZGRUSLSA-N
Compound name
(2S)-2-acetamido-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

290.16306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 171.8
[M+Na]+ 313.15228 174.0
[M-H]- 289.15578 174.4
[M+NH4]+ 308.19688 186.0
[M+K]+ 329.12622 172.9
[M+H-H2O]+ 273.16032 164.2
[M+HCOO]- 335.16126 192.4
[M+CH3COO]- 349.17691 209.0
[M+Na-2H]- 311.13773 170.7
[M]+ 290.16251 171.6
[M]- 290.16361 171.6
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.