CID 6478872

Schembl7481566

Structural Information

Molecular Formula
C18H15FN4OS
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H15FN4OS/c19-15-9-6-14(7-10-15)12-20-17-22-23-18(25-17)21-16(24)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22)(H,21,23,24)/b11-8+
InChIKey
XGMXIEQOUQKUMA-DHZHZOJOSA-N
Compound name
(E)-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.09506 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10234 179.3
[M+Na]+ 377.08428 186.6
[M-H]- 353.08778 185.4
[M+NH4]+ 372.12888 190.9
[M+K]+ 393.05822 179.2
[M+H-H2O]+ 337.09232 168.6
[M+HCOO]- 399.09326 197.6
[M+CH3COO]- 413.10891 189.0
[M+Na-2H]- 375.06973 180.8
[M]+ 354.09451 179.1
[M]- 354.09561 179.1
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