CID 65822

Divaplon

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CCC1=C(N2C=C(N=C2N=C1OC)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H17N3O2/c1-4-13-11(2)20-10-14(18-17(20)19-16(13)22-3)15(21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKey
NRJVHCSYLGLURI-UHFFFAOYSA-N
Compound name
(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

255
Patents

295.13208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 169.3
[M+Na]+ 318.121298 180.4
[M-H]- 294.124804 174.1
[M+NH4]+ 313.165903 183.8
[M+K]+ 334.095238 175.4
[M+H-H2O]+ 278.129340 159.8
[M+HCOO]- 340.130281 190.1
[M+CH3COO]- 354.145931 181.4
[M+Na-2H]- 316.106746 172.8
[M]+ 295.13153142 174.9
[M]- 295.13262858 174.9
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.