CID 14145430

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

Structural Information

Molecular Formula
C9H10Cl2N2
SMILES
CC1CCC2=C(C1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3
InChIKey
FZDKNAIGQIBILC-UHFFFAOYSA-N
Compound name
2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.02211 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02939 142.1
[M+Na]+ 239.01133 152.6
[M-H]- 215.01483 142.9
[M+NH4]+ 234.05593 160.7
[M+K]+ 254.98527 147.1
[M+H-H2O]+ 199.01937 135.9
[M+HCOO]- 261.02031 151.0
[M+CH3COO]- 275.03596 154.3
[M+Na-2H]- 236.99678 147.9
[M]+ 216.02156 142.8
[M]- 216.02266 142.8
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