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

24
Patents

218.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.008646 140.1
[M+Na]+ 240.990588 152.9
[M-H]- 216.994094 142.5
[M+NH4]+ 236.035193 161.3
[M+K]+ 256.964528 149.2
[M+H-H2O]+ 200.998630 135.0
[M+HCOO]- 262.999571 150.9
[M+CH3COO]- 277.015221 153.9
[M+Na-2H]- 238.976036 146.6
[M]+ 218.00082142 144.6
[M]- 218.00191858 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