CID 509438

Schembl7479865

Structural Information

Molecular Formula
C19H27N5OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCCCNC3CCCCC3
InChI
InChI=1S/C19H27N5OS/c1-14-8-10-15(11-9-14)17(25)22-19-24-23-18(26-19)21-13-5-12-20-16-6-3-2-4-7-16/h8-11,16,20H,2-7,12-13H2,1H3,(H,21,23)(H,22,24,25)
InChIKey
RMZFFLBEJMEOPH-UHFFFAOYSA-N
Compound name
N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

373.19363 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20091 184.8
[M+Na]+ 396.18285 187.1
[M-H]- 372.18635 190.7
[M+NH4]+ 391.22745 195.1
[M+K]+ 412.15679 181.5
[M+H-H2O]+ 356.19089 174.5
[M+HCOO]- 418.19183 200.4
[M+CH3COO]- 432.20748 221.4
[M+Na-2H]- 394.16830 184.8
[M]+ 373.19308 181.9
[M]- 373.19418 181.9
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