CID 10294122

Schembl6814583

Structural Information

Molecular Formula
C19H17N5OS2
SMILES
C1CC2=CC=CC=C2C1NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4
InChI
InChI=1S/C19H17N5OS2/c25-18(17-11-27-24-23-17)20-13-6-8-14(9-7-13)21-19(26)22-16-10-5-12-3-1-2-4-15(12)16/h1-4,6-9,11,16H,5,10H2,(H,20,25)(H2,21,22,26)
InChIKey
GOGOTDUQPUKNKE-UHFFFAOYSA-N
Compound name
N-[4-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

395.08746 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.09474 185.1
[M+Na]+ 418.07668 192.0
[M-H]- 394.08018 193.4
[M+NH4]+ 413.12128 198.3
[M+K]+ 434.05062 185.4
[M+H-H2O]+ 378.08472 178.0
[M+HCOO]- 440.08566 198.5
[M+CH3COO]- 454.10131 194.4
[M+Na-2H]- 416.06213 186.2
[M]+ 395.08691 185.6
[M]- 395.08801 185.6
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

patents stripe