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 186.1
[M+Na]+ 373.17339 187.5
[M-H]- 349.17689 188.2
[M+NH4]+ 368.21799 197.8
[M+K]+ 389.14733 186.6
[M+H-H2O]+ 333.18143 177.4
[M+HCOO]- 395.18237 207.4
[M+CH3COO]- 409.19802 216.9
[M+Na-2H]- 371.15884 185.4
[M]+ 350.18362 189.9
[M]- 350.18472 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.