CID 65712485

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

Structural Information

Molecular Formula
C10H12Cl2N2
SMILES
CC1(CCC2=C(C1)C(=NC(=N2)Cl)Cl)C
InChI
InChI=1S/C10H12Cl2N2/c1-10(2)4-3-7-6(5-10)8(11)14-9(12)13-7/h3-5H2,1-2H3
InChIKey
PMKQYNWQDKXLGL-UHFFFAOYSA-N
Compound name
2,4-dichloro-6,6-dimethyl-7,8-dihydro-5H-quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03775 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.045026 144.8
[M+Na]+ 253.026968 155.9
[M-H]- 229.030474 145.9
[M+NH4]+ 248.071573 164.9
[M+K]+ 269.000908 150.4
[M+H-H2O]+ 213.035010 139.0
[M+HCOO]- 275.035951 153.6
[M+CH3COO]- 289.051601 157.1
[M+Na-2H]- 251.012416 151.3
[M]+ 230.03720142 146.1
[M]- 230.03829858 146.1
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

No patent data available for this compound.