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

291
Patents

336.2049 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.212176 184.3
[M+Na]+ 359.194118 186.2
[M-H]- 335.197624 186.1
[M+NH4]+ 354.238723 196.7
[M+K]+ 375.168058 185.0
[M+H-H2O]+ 319.202160 176.4
[M+HCOO]- 381.203101 204.0
[M+CH3COO]- 395.218751 214.5
[M+Na-2H]- 357.179566 184.6
[M]+ 336.20435142 186.5
[M]- 336.20544858 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