CID 165943542

Methyl4-chloro-2-(chloromethyl)quinazoline-6-carboxylate

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(N=C2Cl)CCl
InChI
InChI=1S/C11H8Cl2N2O2/c1-17-11(16)6-2-3-8-7(4-6)10(13)15-9(5-12)14-8/h2-4H,5H2,1H3
InChIKey
IDLLICFOJFPMHN-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-(chloromethyl)quinazoline-6-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 151.5
[M+Na]+ 292.98550 163.2
[M-H]- 268.98900 153.1
[M+NH4]+ 288.03010 168.1
[M+K]+ 308.95944 157.9
[M+H-H2O]+ 252.99354 145.1
[M+HCOO]- 314.99448 162.5
[M+CH3COO]- 329.01013 195.3
[M+Na-2H]- 290.97095 157.5
[M]+ 269.99573 157.5
[M]- 269.99683 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.