CID 16767587

2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C12H7BrN2OS
SMILES
C1=CC2=NC(=C(N2C=C1)C=O)C3=CC=C(S3)Br
InChI
InChI=1S/C12H7BrN2OS/c13-10-5-4-9(17-10)12-8(7-16)15-6-2-1-3-11(15)14-12/h1-7H
InChIKey
VPZSQUJYQITRNL-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.94626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.95354 152.6
[M+Na]+ 328.93548 169.7
[M-H]- 304.93898 162.7
[M+NH4]+ 323.98008 175.0
[M+K]+ 344.90942 157.8
[M+H-H2O]+ 288.94352 153.6
[M+HCOO]- 350.94446 171.9
[M+CH3COO]- 364.96011 169.2
[M+Na-2H]- 326.92093 156.9
[M]+ 305.94571 177.1
[M]- 305.94681 177.1
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

No patent data available for this compound.