CID 22853

Benzyl n6-benzyloxycarbonyl-l-lysinate hydrochloride

Structural Information

Molecular Formula
C21H26N2O4
SMILES
C1=CC=C(C=C1)CC(=O)ONCCCC[C@@H](C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C21H26N2O4/c22-19(21(25)26-16-18-11-5-2-6-12-18)13-7-8-14-23-27-20(24)15-17-9-3-1-4-10-17/h1-6,9-12,19,23H,7-8,13-16,22H2/t19-/m0/s1
InChIKey
QZOGJHLWKHJDPK-IBGZPJMESA-N
Compound name
benzyl (2S)-2-amino-6-[(2-phenylacetyl)oxyamino]hexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.8
[M+Na]+ 393.178488 191.8
[M-H]- 369.181994 195.2
[M+NH4]+ 388.223093 200.8
[M+K]+ 409.152428 188.9
[M+H-H2O]+ 353.186530 180.8
[M+HCOO]- 415.187471 212.3
[M+CH3COO]- 429.203121 220.2
[M+Na-2H]- 391.163936 191.3
[M]+ 370.18872142 191.9
[M]- 370.18981858 191.9
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

No patent data available for this compound.