CID 4678720

75535-96-5

Structural Information

Molecular Formula
C14H13ClN2O3
SMILES
COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)Cl)OC
InChI
InChI=1S/C14H13ClN2O3/c1-19-11-5-8-3-4-17-10(7-13(15)16-14(17)18)9(8)6-12(11)20-2/h5-7H,3-4H2,1-2H3
InChIKey
BIJWXQNMLKVZJM-UHFFFAOYSA-N
Compound name
2-chloro-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

292.06146 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06874 161.7
[M+Na]+ 315.05068 174.0
[M-H]- 291.05418 165.0
[M+NH4]+ 310.09528 178.1
[M+K]+ 331.02462 168.9
[M+H-H2O]+ 275.05872 153.9
[M+HCOO]- 337.05966 176.1
[M+CH3COO]- 351.07531 174.1
[M+Na-2H]- 313.03613 168.5
[M]+ 292.06091 168.0
[M]- 292.06201 168.0
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

patents stripe