CID 16073818

Benzyl n-[(1s)-1-[[(1s,2s)-1-formyl-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H30N2O4/c1-5-15(4)18(12-23)21-19(24)17(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
JRJSJWYEEZDALT-RYQLBKOJSA-N
Compound name
benzyl N-[(2S)-4-methyl-1-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 193.0
[M+Na]+ 385.20977 193.1
[M-H]- 361.21327 194.8
[M+NH4]+ 380.25437 204.1
[M+K]+ 401.18371 192.4
[M+H-H2O]+ 345.21781 184.6
[M+HCOO]- 407.21875 211.4
[M+CH3COO]- 421.23440 223.2
[M+Na-2H]- 383.19522 188.7
[M]+ 362.22000 194.9
[M]- 362.22110 194.9
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.