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]+ 351.19145 185.2
[M+Na]+ 373.17339 191.0
[M+NH4]+ 368.21799 188.5
[M+K]+ 389.14733 187.3
[M-H]- 349.17689 184.4
[M+Na-2H]- 371.15884 186.8
[M]+ 350.18362 185.0
[M]- 350.18472 185.0
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.