CID 4922

Proglumide

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₄

SMILES

CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)

InChIKey

DGMKFQYCZXERLX-UHFFFAOYSA-N

Compound name

4-benzamido-5-(dipropylamino)-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 875
References: 4415
Patents: 334.18927 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.19655	183.6
[M+Na]+	357.17849	184.7
[M-H]-	333.18199	185.7
[M+NH4]+	352.22309	195.8
[M+K]+	373.15243	183.8
[M+H-H2O]+	317.18653	175.3
[M+HCOO]-	379.18747	203.6
[M+CH3COO]-	393.20312	217.0
[M+Na-2H]-	355.16394	181.5
[M]+	334.18872	185.5
[M]-	334.18982	185.5

Literature stripe

literature stripe

Patent stripe

patents stripe