CID 509838

Schembl7481677

Structural Information

Molecular Formula
C19H18F2N4OS
SMILES
C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C19H18F2N4OS/c20-15-10-14(11-16(21)12-15)17(26)23-19-25-24-18(27-19)22-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,24)(H,23,25,26)
InChIKey
GVXTZDRNNBMGIQ-UHFFFAOYSA-N
Compound name
3,5-difluoro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

388.11694 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12422 186.2
[M+Na]+ 411.10616 193.5
[M-H]- 387.10966 191.0
[M+NH4]+ 406.15076 196.6
[M+K]+ 427.08010 186.1
[M+H-H2O]+ 371.11420 174.5
[M+HCOO]- 433.11514 202.9
[M+CH3COO]- 447.13079 221.5
[M+Na-2H]- 409.09161 186.0
[M]+ 388.11639 186.6
[M]- 388.11749 186.6
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