CID 1581102

(s)-tert-butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C18H28N2O4/c1-18(2,3)24-16(21)15(19)11-7-8-12-20-17(22)23-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKey
AKFVZALISNAFRA-HNNXBMFYSA-N
Compound name
tert-butyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

336.2049 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 184.3
[M+Na]+ 359.19412 186.2
[M-H]- 335.19762 186.1
[M+NH4]+ 354.23872 196.7
[M+K]+ 375.16806 185.0
[M+H-H2O]+ 319.20216 176.4
[M+HCOO]- 381.20310 204.0
[M+CH3COO]- 395.21875 214.5
[M+Na-2H]- 357.17957 184.6
[M]+ 336.20435 186.5
[M]- 336.20545 186.5
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

patents stripe