CID 509443

Schembl7485897

Structural Information

Molecular Formula
C21H32N4OS
SMILES
CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C21H32N4OS/c1-3-4-5-6-7-8-9-10-11-16-22-20-24-25-21(27-20)23-19(26)18-14-12-17(2)13-15-18/h12-15H,3-11,16H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKey
DPUVSNONLWYMOD-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.22968 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23696 195.5
[M+Na]+ 411.21890 199.4
[M-H]- 387.22240 198.6
[M+NH4]+ 406.26350 206.3
[M+K]+ 427.19284 193.2
[M+H-H2O]+ 371.22694 185.4
[M+HCOO]- 433.22788 212.1
[M+CH3COO]- 447.24353 225.1
[M+Na-2H]- 409.20435 193.5
[M]+ 388.22913 200.5
[M]- 388.23023 200.5
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