CID 509397

Schembl7483541

Structural Information

Molecular Formula
C20H28F2N4OS
SMILES
CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C20H28F2N4OS/c1-2-3-4-5-6-7-8-9-10-13-23-19-25-26-20(28-19)24-18(27)16-12-11-15(21)14-17(16)22/h11-12,14H,2-10,13H2,1H3,(H,23,25)(H,24,26,27)
InChIKey
XFPHQXIWOQXARC-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

410.1952 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20248 195.5
[M+Na]+ 433.18442 200.7
[M-H]- 409.18792 196.3
[M+NH4]+ 428.22902 205.5
[M+K]+ 449.15836 193.8
[M+H-H2O]+ 393.19246 183.9
[M+HCOO]- 455.19340 210.3
[M+CH3COO]- 469.20905 228.6
[M+Na-2H]- 431.16987 192.3
[M]+ 410.19465 198.5
[M]- 410.19575 198.5
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