CID 315207

Carbobenzyloxy-dl-norleucylglycine ethyl ester

Structural Information

Molecular Formula
C18H26N2O5
SMILES
CCCCC(C(=O)NCC(=O)OCC)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C18H26N2O5/c1-3-5-11-15(17(22)19-12-16(21)24-4-2)20-18(23)25-13-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKey
IECNGONADCIGEL-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(phenylmethoxycarbonylamino)hexanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.18417 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.191446 186.1
[M+Na]+ 373.173388 187.5
[M-H]- 349.176894 188.2
[M+NH4]+ 368.217993 197.8
[M+K]+ 389.147328 186.6
[M+H-H2O]+ 333.181430 177.4
[M+HCOO]- 395.182371 207.4
[M+CH3COO]- 409.198021 216.9
[M+Na-2H]- 371.158836 185.4
[M]+ 350.18362142 189.9
[M]- 350.18471858 189.9
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.