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

71
Patents

195.01994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 136.1
[M+Na]+ 218.00916 148.0
[M-H]- 194.01266 136.8
[M+NH4]+ 213.05376 153.7
[M+K]+ 233.98310 143.8
[M+H-H2O]+ 178.01720 128.4
[M+HCOO]- 240.01814 152.3
[M+CH3COO]- 254.03379 149.5
[M+Na-2H]- 215.99461 146.2
[M]+ 195.01939 139.9
[M]- 195.02049 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