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]+ 231.04503 144.8
[M+Na]+ 253.02697 155.9
[M-H]- 229.03047 145.9
[M+NH4]+ 248.07157 164.9
[M+K]+ 269.00091 150.4
[M+H-H2O]+ 213.03501 139.0
[M+HCOO]- 275.03595 153.6
[M+CH3COO]- 289.05160 157.1
[M+Na-2H]- 251.01242 151.3
[M]+ 230.03720 146.1
[M]- 230.03830 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.