CID 134990384

4-[hydroxy[5-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-4-oxobutanoic acid

Structural Information

Molecular Formula
C17H24N2O6
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCN(C(=O)CCC(=O)O)O
InChI
InChI=1S/C17H24N2O6/c20-15(9-10-16(21)22)19(24)12-6-2-5-11-18-17(23)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,24H,2,5-6,9-13H2,(H,18,23)(H,21,22)
InChIKey
IYENUCLMRZGKHN-UHFFFAOYSA-N
Compound name
4-[hydroxy-[5-(phenylmethoxycarbonylamino)pentyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.170696 183.3
[M+Na]+ 375.152638 184.3
[M-H]- 351.156144 184.0
[M+NH4]+ 370.197243 194.0
[M+K]+ 391.126578 183.6
[M+H-H2O]+ 335.160680 174.7
[M+HCOO]- 397.161621 203.6
[M+CH3COO]- 411.177271 214.5
[M+Na-2H]- 373.138086 182.8
[M]+ 352.16287142 186.3
[M]- 352.16396858 186.3
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.