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]+ 271.003556 151.5
[M+Na]+ 292.985498 163.2
[M-H]- 268.989004 153.1
[M+NH4]+ 288.030103 168.1
[M+K]+ 308.959438 157.9
[M+H-H2O]+ 252.993540 145.1
[M+HCOO]- 314.994481 162.5
[M+CH3COO]- 329.010131 195.3
[M+Na-2H]- 290.970946 157.5
[M]+ 269.99573142 157.5
[M]- 269.99682858 157.5
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.