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
2
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

literature stripe

Patent stripe

patents stripe