CID 98197

N2,n6-dibenzyloxycarbonyl-l-lysine

Structural Information

Molecular Formula
C22H26N2O6
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)
InChIKey
BLZXFNUZFTZCFD-UHFFFAOYSA-N
Compound name
2,6-bis(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

395
Patents

414.17908 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 198.9
[M+Na]+ 437.16830 198.7
[M-H]- 413.17180 202.4
[M+NH4]+ 432.21290 206.4
[M+K]+ 453.14224 196.8
[M+H-H2O]+ 397.17634 188.7
[M+HCOO]- 459.17728 218.8
[M+CH3COO]- 473.19293 224.7
[M+Na-2H]- 435.15375 198.8
[M]+ 414.17853 200.9
[M]- 414.17963 200.9
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

patents stripe