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]+ 371.19655 190.8
[M+Na]+ 393.17849 191.8
[M-H]- 369.18199 195.2
[M+NH4]+ 388.22309 200.8
[M+K]+ 409.15243 188.9
[M+H-H2O]+ 353.18653 180.8
[M+HCOO]- 415.18747 212.3
[M+CH3COO]- 429.20312 220.2
[M+Na-2H]- 391.16394 191.3
[M]+ 370.18872 191.9
[M]- 370.18982 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.