CID 509813

Schembl7485485

Structural Information

Molecular Formula
C17H15FN4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN4O2S/c1-24-14-5-3-2-4-13(14)15(23)20-17-22-21-16(25-17)19-10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21)(H,20,22,23)
InChIKey
WZNHNDAXGVDJRY-UHFFFAOYSA-N
Compound name
N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

358.08997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09725 178.8
[M+Na]+ 381.07919 186.7
[M-H]- 357.08269 185.5
[M+NH4]+ 376.12379 190.5
[M+K]+ 397.05313 180.9
[M+H-H2O]+ 341.08723 168.3
[M+HCOO]- 403.08817 197.5
[M+CH3COO]- 417.10382 189.0
[M+Na-2H]- 379.06464 180.3
[M]+ 358.08942 180.9
[M]- 358.09052 180.9
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