CID 510247

Schembl7482861

Structural Information

Molecular Formula
C20H20N4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NC3CCCC4=CC=CC=C34
InChI
InChI=1S/C20H20N4O2S/c1-26-17-12-5-4-10-15(17)18(25)22-20-24-23-19(27-20)21-16-11-6-8-13-7-2-3-9-14(13)16/h2-5,7,9-10,12,16H,6,8,11H2,1H3,(H,21,23)(H,22,24,25)
InChIKey
KIHJJDNTDHJNPY-UHFFFAOYSA-N
Compound name
2-methoxy-N-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

380.1307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.137976 185.1
[M+Na]+ 403.119918 190.9
[M-H]- 379.123424 192.8
[M+NH4]+ 398.164523 196.5
[M+K]+ 419.093858 185.1
[M+H-H2O]+ 363.127960 175.5
[M+HCOO]- 425.128901 200.8
[M+CH3COO]- 439.144551 194.2
[M+Na-2H]- 401.105366 187.3
[M]+ 380.13015142 185.3
[M]- 380.13124858 185.3
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