CID 671784

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C13H9N3O3S
SMILES
CC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C13H9N3O3S/c1-7-15-16-13(20-7)14-11(17)9-6-8-4-2-3-5-10(8)19-12(9)18/h2-6H,1H3,(H,14,16,17)
InChIKey
RKTHKVGTMKCKRG-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.03647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.043746 160.8
[M+Na]+ 310.025688 172.8
[M-H]- 286.029194 168.3
[M+NH4]+ 305.070293 176.0
[M+K]+ 325.999628 169.2
[M+H-H2O]+ 270.033730 153.3
[M+HCOO]- 332.034671 180.2
[M+CH3COO]- 346.050321 174.0
[M+Na-2H]- 308.011136 165.9
[M]+ 287.03592142 167.2
[M]- 287.03701858 167.2
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.