CID 509875

Schembl7486255

Structural Information

Molecular Formula
C20H28Cl2N4OS
SMILES
CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C20H28Cl2N4OS/c1-2-3-4-5-6-7-8-9-10-14-23-19-25-26-20(28-19)24-18(27)17-15(21)12-11-13-16(17)22/h11-13H,2-10,14H2,1H3,(H,23,25)(H,24,26,27)
InChIKey
XYFDCKZUSPHBFX-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

442.13608 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.14336 204.4
[M+Na]+ 465.12530 210.3
[M-H]- 441.12880 207.2
[M+NH4]+ 460.16990 214.6
[M+K]+ 481.09924 201.9
[M+H-H2O]+ 425.13334 195.7
[M+HCOO]- 487.13428 211.5
[M+CH3COO]- 501.14993 230.5
[M+Na-2H]- 463.11075 200.9
[M]+ 442.13553 212.2
[M]- 442.13663 212.2
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

patents stripe