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

3
Patents

380.1307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13798 185.1
[M+Na]+ 403.11992 190.9
[M-H]- 379.12342 192.8
[M+NH4]+ 398.16452 196.5
[M+K]+ 419.09386 185.1
[M+H-H2O]+ 363.12796 175.5
[M+HCOO]- 425.12890 200.8
[M+CH3COO]- 439.14455 194.2
[M+Na-2H]- 401.10537 187.3
[M]+ 380.13015 185.3
[M]- 380.13125 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