CID 54695904

Hydroxy-oxo-n-(1,3,4-thiadiazol-2-yl)[?]carboxamide

Structural Information

Molecular Formula
C15H12N4O3S
SMILES
C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C(=O)NC4=NN=CS4)O
InChI
InChI=1S/C15H12N4O3S/c20-12-9-5-1-3-8-4-2-6-19(11(8)9)14(22)10(12)13(21)17-15-18-16-7-23-15/h1,3,5,7,20H,2,4,6H2,(H,17,18,21)
InChIKey
GXPQKCKGLVKYSV-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.06302 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07030 170.4
[M+Na]+ 351.05224 180.7
[M-H]- 327.05574 174.1
[M+NH4]+ 346.09684 184.2
[M+K]+ 367.02618 175.1
[M+H-H2O]+ 311.06028 162.6
[M+HCOO]- 373.06122 184.1
[M+CH3COO]- 387.07687 181.0
[M+Na-2H]- 349.03769 175.1
[M]+ 328.06247 174.2
[M]- 328.06357 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.