CID 509824

Schembl7484887

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H18N4OS/c1-13-7-9-15(10-8-13)16(23)20-18-22-21-17(24-18)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKey
XYANVCFBZLOKGJ-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

338.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 177.3
[M+Na]+ 361.10934 184.2
[M-H]- 337.11284 184.8
[M+NH4]+ 356.15394 189.7
[M+K]+ 377.08328 178.0
[M+H-H2O]+ 321.11738 167.6
[M+HCOO]- 383.11832 196.5
[M+CH3COO]- 397.13397 187.5
[M+Na-2H]- 359.09479 179.4
[M]+ 338.11957 178.9
[M]- 338.12067 178.9
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

No patent data available for this compound.