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]+ 207.068356 141.9
[M+Na]+ 229.050298 152.3
[M-H]- 205.053804 143.8
[M+NH4]+ 224.094903 160.5
[M+K]+ 245.024238 147.5
[M+H-H2O]+ 189.058340 135.0
[M+HCOO]- 251.059281 157.4
[M+CH3COO]- 265.074931 154.9
[M+Na-2H]- 227.035746 149.3
[M]+ 206.06053142 144.4
[M]- 206.06162858 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.