CID 86715901

4-chloro-7-methoxypyrido[3,2-d]pyrimidine

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
COC1=CC2=C(C(=NC=N2)Cl)N=C1
InChI
InChI=1S/C8H6ClN3O/c1-13-5-2-6-7(10-3-5)8(9)12-4-11-6/h2-4H,1H3
InChIKey
VDSBLLZHATXYRY-UHFFFAOYSA-N
Compound name
4-chloro-7-methoxypyrido[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

195.01994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 136.1
[M+Na]+ 218.009158 148.0
[M-H]- 194.012664 136.8
[M+NH4]+ 213.053763 153.7
[M+K]+ 233.983098 143.8
[M+H-H2O]+ 178.017200 128.4
[M+HCOO]- 240.018141 152.3
[M+CH3COO]- 254.033791 149.5
[M+Na-2H]- 215.994606 146.2
[M]+ 195.01939142 139.9
[M]- 195.02048858 139.9
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

patents stripe