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
5
Annotation Hits

53
References

403
Patents

225.11134 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 151.3
[M+Na]+ 248.10056 156.2
[M-H]- 224.10406 149.1
[M+NH4]+ 243.14516 166.4
[M+K]+ 264.07450 153.7
[M+H-H2O]+ 208.10860 143.5
[M+HCOO]- 270.10954 170.7
[M+CH3COO]- 284.12519 185.0
[M+Na-2H]- 246.08601 153.7
[M]+ 225.11079 150.2
[M]- 225.11189 150.2
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.