CID 45049809

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

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CCC[C@@H](C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H20N2O5/c1-2-6-12(14(20)16-9-13(18)19)17-15(21)22-10-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,20)(H,17,21)(H,18,19)/t12-/m0/s1
InChIKey
DSGKPVVFBQQVSE-LBPRGKRZSA-N
Compound name
2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.144476 172.3
[M+Na]+ 331.126418 174.5
[M-H]- 307.129924 173.5
[M+NH4]+ 326.171023 184.9
[M+K]+ 347.100358 173.5
[M+H-H2O]+ 291.134460 164.4
[M+HCOO]- 353.135401 193.1
[M+CH3COO]- 367.151051 206.4
[M+Na-2H]- 329.111866 172.7
[M]+ 308.13665142 173.2
[M]- 308.13774858 173.2
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.