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]+ 288.04375 160.8
[M+Na]+ 310.02569 172.8
[M-H]- 286.02919 168.3
[M+NH4]+ 305.07029 176.0
[M+K]+ 325.99963 169.2
[M+H-H2O]+ 270.03373 153.3
[M+HCOO]- 332.03467 180.2
[M+CH3COO]- 346.05032 174.0
[M+Na-2H]- 308.01114 165.9
[M]+ 287.03592 167.2
[M]- 287.03702 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.