CID 157872

82559-06-6

Structural Information

Molecular Formula
C17H23N3O3S
SMILES
CCC(C)(CC)C1=NN=C(S1)NC(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C17H23N3O3S/c1-6-17(3,7-2)15-19-20-16(24-15)18-14(21)13-11(22-4)9-8-10-12(13)23-5/h8-10H,6-7H2,1-5H3,(H,18,20,21)
InChIKey
NVHSQPUJSSZQRY-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

349.14603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15331 184.3
[M+Na]+ 372.13525 194.2
[M+NH4]+ 367.17985 189.8
[M+K]+ 388.10919 189.2
[M-H]- 348.13875 185.7
[M+Na-2H]- 370.12070 188.9
[M]+ 349.14548 186.4
[M]- 349.14658 186.4
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