CID 509858

Schembl7486855

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCCNC3=CC=CC=C3
InChI
InChI=1S/C18H19N5OS/c1-13-7-9-14(10-8-13)16(24)21-18-23-22-17(25-18)20-12-11-19-15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
UGIXRXZUCMBMGH-UHFFFAOYSA-N
Compound name
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.13104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.138316 178.9
[M+Na]+ 376.120258 184.8
[M-H]- 352.123764 186.3
[M+NH4]+ 371.164863 190.2
[M+K]+ 392.094198 178.6
[M+H-H2O]+ 336.128300 168.8
[M+HCOO]- 398.129241 199.1
[M+CH3COO]- 412.144891 188.6
[M+Na-2H]- 374.105706 182.0
[M]+ 353.13049142 179.8
[M]- 353.13158858 179.8
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