CID 455778

Nnon-co-val-phe-h

Structural Information

Molecular Formula
C24H38N2O3
SMILES
CCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C=O
InChI
InChI=1S/C24H38N2O3/c1-4-5-6-7-8-9-13-16-22(28)26-23(19(2)3)24(29)25-21(18-27)17-20-14-11-10-12-15-20/h10-12,14-15,18-19,21,23H,4-9,13,16-17H2,1-3H3,(H,25,29)(H,26,28)/t21-,23-/m0/s1
InChIKey
ACALSWRHTCVTTN-GMAHTHKFSA-N
Compound name
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.28824 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.29552 208.2
[M+Na]+ 425.27746 206.8
[M-H]- 401.28096 209.0
[M+NH4]+ 420.32206 217.6
[M+K]+ 441.25140 203.9
[M+H-H2O]+ 385.28550 198.9
[M+HCOO]- 447.28644 225.9
[M+CH3COO]- 461.30209 232.6
[M+Na-2H]- 423.26291 202.8
[M]+ 402.28769 210.7
[M]- 402.28879 210.7
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.