CID 9942657

Ingavirin

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

C1=C(NC=N1)CCNC(=O)CCCC(=O)O

InChI

InChI=1S/C10H15N3O3/c14-9(2-1-3-10(15)16)12-5-4-8-6-11-7-13-8/h6-7H,1-5H2,(H,11,13)(H,12,14)(H,15,16)

InChIKey

KZIMLUFVKJLCCH-UHFFFAOYSA-N

Compound name

5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 53
References: 434
Patents: 225.11134 Da
Monoisotopic Mass: -0.7
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]+	226.11862	152.0
[M+Na]+	248.10056	158.7
[M+NH4]+	243.14516	156.2
[M+K]+	264.07450	157.3
[M-H]-	224.10406	149.3
[M+Na-2H]-	246.08601	153.7
[M]+	225.11079	151.4
[M]-	225.11189	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe