CID 42809123

4-chloro-2-cyclopropylquinazoline

Structural Information

Molecular Formula
C11H9ClN2
SMILES
C1CC1C2=NC3=CC=CC=C3C(=N2)Cl
InChI
InChI=1S/C11H9ClN2/c12-10-8-3-1-2-4-9(8)13-11(14-10)7-5-6-7/h1-4,7H,5-6H2
InChIKey
IQBRXDZPRMYVCR-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.04543 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.052706 145.7
[M+Na]+ 227.034648 157.8
[M-H]- 203.038154 151.0
[M+NH4]+ 222.079253 159.2
[M+K]+ 243.008588 151.8
[M+H-H2O]+ 187.042690 137.6
[M+HCOO]- 249.043631 162.8
[M+CH3COO]- 263.059281 158.3
[M+Na-2H]- 225.020096 153.7
[M]+ 204.04488142 149.2
[M]- 204.04597858 149.2
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