CID 53236359

2,4-dichloro-7,7-dimethyl-5h,7h-furo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2O
SMILES
CC1(C2=C(CO1)C(=NC(=N2)Cl)Cl)C
InChI
InChI=1S/C8H8Cl2N2O/c1-8(2)5-4(3-13-8)6(9)12-7(10)11-5/h3H2,1-2H3
InChIKey
IGGHWEUEJMUGHP-UHFFFAOYSA-N
Compound name
2,4-dichloro-7,7-dimethyl-5H-furo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

218.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00865 140.1
[M+Na]+ 240.99059 152.9
[M-H]- 216.99409 142.5
[M+NH4]+ 236.03519 161.3
[M+K]+ 256.96453 149.2
[M+H-H2O]+ 200.99863 135.0
[M+HCOO]- 262.99957 150.9
[M+CH3COO]- 277.01522 153.9
[M+Na-2H]- 238.97604 146.6
[M]+ 218.00082 144.6
[M]- 218.00192 144.6
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