CID 104782230

1564969-50-1

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1CCC2=C(C1)C=CC3=C2N=CN=C3Cl
InChI
InChI=1S/C12H11ClN2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)14-7-15-12/h5-7H,1-4H2
InChIKey
FPGHYUIZVHQUQY-UHFFFAOYSA-N
Compound name
4-chloro-7,8,9,10-tetrahydrobenzo[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06108 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 144.8
[M+Na]+ 241.05030 161.7
[M+NH4]+ 236.09490 155.8
[M+K]+ 257.02424 152.0
[M-H]- 217.05380 148.7
[M+Na-2H]- 239.03575 152.9
[M]+ 218.06053 148.9
[M]- 218.06163 148.9
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.