CID 59634443

2,4-dichloro-5h,7h,8h-pyrano[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
C1COCC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2
InChIKey
CRTMMAOQBFOYJK-UHFFFAOYSA-N
Compound name
2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

203.98572 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.992996 136.1
[M+Na]+ 226.974938 146.5
[M-H]- 202.978444 137.5
[M+NH4]+ 222.019543 153.6
[M+K]+ 242.948878 143.1
[M+H-H2O]+ 186.982980 129.8
[M+HCOO]- 248.983921 145.0
[M+CH3COO]- 262.999571 148.7
[M+Na-2H]- 224.960386 144.4
[M]+ 203.98517142 137.7
[M]- 203.98626858 137.7
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