CID 443118

110044-82-1

Structural Information

Molecular Formula
C20H37N3O4
SMILES
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C
InChI
InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
InChIKey
FMYKJLXRRQTBOR-BZSNNMDCSA-N
Compound name
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

382
References

6404
Patents

383.2784 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28568 198.4
[M+Na]+ 406.26762 227.3
[M+NH4]+ 401.31222 224.3
[M+K]+ 422.24156 221.9
[M-H]- 382.27112 221.6
[M+Na-2H]- 404.25307 194.0
[M]+ 383.27785 220.1
[M]- 383.27895 220.1
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

patents stripe