CID 241518

2-(chloromethyl)-4-methylquinazoline

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1=NC(=NC2=CC=CC=C12)CCl
InChI
InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3
InChIKey
UHCUBOJGMLASBY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

192.04543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 137.6
[M+Na]+ 215.03465 154.6
[M+NH4]+ 210.07925 147.6
[M+K]+ 231.00859 145.6
[M-H]- 191.03815 140.6
[M+Na-2H]- 213.02010 146.5
[M]+ 192.04488 141.4
[M]- 192.04598 141.4
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

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