CID 24248478

1017370-54-5

Structural Information

Molecular Formula
C19H18FN3O2S
SMILES
CC(C)C1=NN=C(S1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FN3O2S/c1-12(2)18-22-23-19(26-18)21-17(24)15-5-3-4-6-16(15)25-11-13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,23,24)
InChIKey
AGQNPNHXSOEFIJ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.11038 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11766 185.3
[M+Na]+ 394.09960 192.9
[M-H]- 370.10310 191.8
[M+NH4]+ 389.14420 196.7
[M+K]+ 410.07354 187.3
[M+H-H2O]+ 354.10764 175.0
[M+HCOO]- 416.10858 201.2
[M+CH3COO]- 430.12423 216.8
[M+Na-2H]- 392.08505 183.8
[M]+ 371.10983 188.2
[M]- 371.11093 188.2
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

No patent data available for this compound.