CID 433608

Glycine, n-[(phenylmethoxy)carbonyl]-l-isoleucyl-

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CCC(C)C(C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H22N2O5/c1-3-11(2)14(15(21)17-9-13(19)20)18-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKey
RWAYODJQGJVQGX-UHFFFAOYSA-N
Compound name
2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.160136 177.2
[M+Na]+ 345.142078 178.7
[M-H]- 321.145584 178.3
[M+NH4]+ 340.186683 189.2
[M+K]+ 361.116018 178.1
[M+H-H2O]+ 305.150120 169.3
[M+HCOO]- 367.151061 196.6
[M+CH3COO]- 381.166711 210.3
[M+Na-2H]- 343.127526 175.8
[M]+ 322.15231142 177.8
[M]- 322.15340858 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.