CID 19744207

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

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1=NC2=C(CCCC2)C(=N1)Cl
InChI
InChI=1S/C9H11ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H2,1H3
InChIKey
PVACCUIMOFKWKB-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

182.06108 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 136.4
[M+Na]+ 205.050298 145.8
[M-H]- 181.053804 137.8
[M+NH4]+ 200.094903 155.8
[M+K]+ 221.024238 141.5
[M+H-H2O]+ 165.058340 129.6
[M+HCOO]- 227.059281 150.6
[M+CH3COO]- 241.074931 149.2
[M+Na-2H]- 203.035746 143.9
[M]+ 182.06053142 135.8
[M]- 182.06162858 135.8
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