CID 4146129

5,6-dihydrobenzo[h]quinazoline hydrochloride

Structural Information

Molecular Formula
C12H10N2
SMILES
C1CC2=CN=CN=C2C3=CC=CC=C31
InChI
InChI=1S/C12H10N2/c1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11/h1-4,7-8H,5-6H2
InChIKey
LVGPUDKBSXRFFI-UHFFFAOYSA-N
Compound name
5,6-dihydrobenzo[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2187
Patents

182.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09168 136.7
[M+Na]+ 205.07362 145.7
[M-H]- 181.07712 139.1
[M+NH4]+ 200.11822 155.9
[M+K]+ 221.04756 141.1
[M+H-H2O]+ 165.08166 128.4
[M+HCOO]- 227.08260 155.9
[M+CH3COO]- 241.09825 149.5
[M+Na-2H]- 203.05907 148.1
[M]+ 182.08385 135.0
[M]- 182.08495 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe