CID 329370

Nsc311481

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
COC(=O)NC1=CN2C=C(C=CC2=N1)C(=O)C3=CC=CS3
InChI
InChI=1S/C14H11N3O3S/c1-20-14(19)16-11-8-17-7-9(4-5-12(17)15-11)13(18)10-3-2-6-21-10/h2-8H,1H3,(H,16,19)
InChIKey
KQRPCYRBISRWOU-UHFFFAOYSA-N
Compound name
methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 166.9
[M+Na]+ 324.04134 177.0
[M-H]- 300.04484 173.8
[M+NH4]+ 319.08594 184.4
[M+K]+ 340.01528 173.7
[M+H-H2O]+ 284.04938 159.9
[M+HCOO]- 346.05032 186.7
[M+CH3COO]- 360.06597 179.5
[M+Na-2H]- 322.02679 168.1
[M]+ 301.05157 173.2
[M]- 301.05267 173.2
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.