CID 44366908

Z-ile-leu-aldehyde

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H30N2O4/c1-5-15(4)18(19(24)21-17(12-23)11-14(2)3)22-20(25)26-13-16-9-7-6-8-10-16/h6-10,12,14-15,17-18H,5,11,13H2,1-4H3,(H,21,24)(H,22,25)/t15-,17-,18-/m0/s1
InChIKey
WJQLUFQGNVGLKR-SZMVWBNQSA-N
Compound name
benzyl N-[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

245
Patents

362.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 190.3
[M+Na]+ 385.20977 195.4
[M+NH4]+ 380.25437 193.6
[M+K]+ 401.18371 192.5
[M-H]- 361.21327 189.5
[M+Na-2H]- 383.19522 191.2
[M]+ 362.22000 190.1
[M]- 362.22110 190.1
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