CID 509794

Schembl7482924

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H18N4O2S/c1-24-15-10-6-5-9-14(15)16(23)20-18-22-21-17(25-18)19-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKey
JDPHKDRBVBWPJT-UHFFFAOYSA-N
Compound name
2-methoxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.11505 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 180.2
[M+Na]+ 377.10427 186.8
[M-H]- 353.10777 187.7
[M+NH4]+ 372.14887 191.8
[M+K]+ 393.07821 181.2
[M+H-H2O]+ 337.11231 170.3
[M+HCOO]- 399.11325 199.6
[M+CH3COO]- 413.12890 190.2
[M+Na-2H]- 375.08972 182.4
[M]+ 354.11450 183.1
[M]- 354.11560 183.1
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