CID 131308005

Methyl 7-bromoquinazoline-2-carboxylate

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
COC(=O)C1=NC=C2C=CC(=CC2=N1)Br
InChI
InChI=1S/C10H7BrN2O2/c1-15-10(14)9-12-5-6-2-3-7(11)4-8(6)13-9/h2-5H,1H3
InChIKey
HAANLMGMLRWXAM-UHFFFAOYSA-N
Compound name
methyl 7-bromoquinazoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.9691 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.976376 145.7
[M+Na]+ 288.958318 158.6
[M-H]- 264.961824 150.7
[M+NH4]+ 284.002923 164.6
[M+K]+ 304.932258 148.0
[M+H-H2O]+ 248.966360 144.8
[M+HCOO]- 310.967301 164.5
[M+CH3COO]- 324.982951 192.6
[M+Na-2H]- 286.943766 155.1
[M]+ 265.96855142 166.5
[M]- 265.96964858 166.5
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

patents stripe