CID 25215428

Ainuovirine

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C
InChI
InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)
InChIKey
AYPIJAMXGVYYRQ-UHFFFAOYSA-N
Compound name
3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

325.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 174.0
[M+Na]+ 348.13186 187.1
[M+NH4]+ 343.17646 175.5
[M+K]+ 364.10580 178.6
[M-H]- 324.13536 167.9
[M+Na-2H]- 346.11731 176.5
[M]+ 325.14209 173.2
[M]- 325.14319 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

literature stripe

Patent stripe

patents stripe