CID 12763986

68050-39-5

Structural Information

Molecular Formula
C14H10BrClN2O2
SMILES
CCOC(=O)C1=CN2C3=C(C=CC(=C3)Br)C(=CC2=N1)Cl
InChI
InChI=1S/C14H10BrClN2O2/c1-2-20-14(19)11-7-18-12-5-8(15)3-4-9(12)10(16)6-13(18)17-11/h3-7H,2H2,1H3
InChIKey
HWHOHGXWZFLLPO-UHFFFAOYSA-N
Compound name
ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.96143 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.96871 168.5
[M+Na]+ 374.95065 184.4
[M-H]- 350.95415 175.1
[M+NH4]+ 369.99525 188.2
[M+K]+ 390.92459 171.3
[M+H-H2O]+ 334.95869 168.2
[M+HCOO]- 396.95963 183.4
[M+CH3COO]- 410.97528 183.0
[M+Na-2H]- 372.93610 174.8
[M]+ 351.96088 194.1
[M]- 351.96198 194.1
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