CID 487359

Imidazo(1,2-a)pyridine, 7-methyl-3-nitroso-2-(2-thienyl)-

Structural Information

Molecular Formula
C12H9N3OS
SMILES
CC1=CC2=NC(=C(N2C=C1)N=O)C3=CC=CS3
InChI
InChI=1S/C12H9N3OS/c1-8-4-5-15-10(7-8)13-11(12(15)14-16)9-3-2-6-17-9/h2-7H,1H3
InChIKey
WVPQEGSMHQFTKG-UHFFFAOYSA-N
Compound name
7-methyl-3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.04663 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05391 150.9
[M+Na]+ 266.03585 164.3
[M-H]- 242.03935 159.6
[M+NH4]+ 261.08045 172.2
[M+K]+ 282.00979 160.5
[M+H-H2O]+ 226.04389 144.2
[M+HCOO]- 288.04483 174.5
[M+CH3COO]- 302.06048 166.0
[M+Na-2H]- 264.02130 154.4
[M]+ 243.04608 158.1
[M]- 243.04718 158.1
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.