CID 18802016

4-chloro-6-(propan-2-yl)quinazoline

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC(C)C1=CC2=C(C=C1)N=CN=C2Cl
InChI
InChI=1S/C11H11ClN2/c1-7(2)8-3-4-10-9(5-8)11(12)14-6-13-10/h3-7H,1-2H3
InChIKey
SZIVOSQYCAPLTH-UHFFFAOYSA-N
Compound name
4-chloro-6-propan-2-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 141.9
[M+Na]+ 229.05030 152.3
[M-H]- 205.05380 143.8
[M+NH4]+ 224.09490 160.5
[M+K]+ 245.02424 147.5
[M+H-H2O]+ 189.05834 135.0
[M+HCOO]- 251.05928 157.4
[M+CH3COO]- 265.07493 154.9
[M+Na-2H]- 227.03575 149.3
[M]+ 206.06053 144.4
[M]- 206.06163 144.4
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.