CID 12602864

2,4-dichloro-5,6,7,8-tetrahydroquinazoline

Structural Information

Molecular Formula
C8H8Cl2N2
SMILES
C1CCC2=C(C1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2
InChIKey
KBAXPKVNVXMVKV-UHFFFAOYSA-N
Compound name
2,4-dichloro-5,6,7,8-tetrahydroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

202.00645 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01373 137.3
[M+Na]+ 224.99567 147.4
[M-H]- 200.99917 137.9
[M+NH4]+ 220.04027 156.2
[M+K]+ 240.96961 142.1
[M+H-H2O]+ 185.00371 131.1
[M+HCOO]- 247.00465 146.6
[M+CH3COO]- 261.02030 149.6
[M+Na-2H]- 222.98112 144.4
[M]+ 202.00590 137.3
[M]- 202.00700 137.3
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