CID 9801242

Schembl7075364

Structural Information

Molecular Formula
C17H15FN6OS2
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=NC=C(C=C2)NC(=O)C3=CSN=N3
InChI
InChI=1S/C17H15FN6OS2/c1-10(11-2-4-12(18)5-3-11)20-17(26)22-15-7-6-13(8-19-15)21-16(25)14-9-27-24-23-14/h2-10H,1H3,(H,21,25)(H2,19,20,22,26)
InChIKey
VHCVHFOQGJKQFM-UHFFFAOYSA-N
Compound name
N-[6-[1-(4-fluorophenyl)ethylcarbamothioylamino]pyridin-3-yl]thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

402.07327 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08055 184.8
[M+Na]+ 425.06249 191.4
[M-H]- 401.06599 189.6
[M+NH4]+ 420.10709 193.2
[M+K]+ 441.03643 183.8
[M+H-H2O]+ 385.07053 174.9
[M+HCOO]- 447.07147 195.8
[M+CH3COO]- 461.08712 192.8
[M+Na-2H]- 423.04794 185.4
[M]+ 402.07272 184.2
[M]- 402.07382 184.2
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

patents stripe