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]+ 296.13936 169.3
[M+Na]+ 318.12130 180.4
[M-H]- 294.12480 174.1
[M+NH4]+ 313.16590 183.8
[M+K]+ 334.09524 175.4
[M+H-H2O]+ 278.12934 159.8
[M+HCOO]- 340.13028 190.1
[M+CH3COO]- 354.14593 181.4
[M+Na-2H]- 316.10675 172.8
[M]+ 295.13153 174.9
[M]- 295.13263 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.