CID 165918366

Methyl 4-chloro-2-(chloromethyl)quinazoline-7-carboxylate

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)CCl)Cl
InChI
InChI=1S/C11H8Cl2N2O2/c1-17-11(16)6-2-3-7-8(4-6)14-9(5-12)15-10(7)13/h2-4H,5H2,1H3
InChIKey
FWUKUOWCDLVQRP-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-(chloromethyl)quinazoline-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.99628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00356 153.0
[M+Na]+ 292.98550 169.3
[M+NH4]+ 288.03010 161.3
[M+K]+ 308.95944 161.4
[M-H]- 268.98900 154.4
[M+Na-2H]- 290.97095 159.9
[M]+ 269.99573 156.4
[M]- 269.99683 156.4
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.