CID 509771

Schembl7486315

Structural Information

Molecular Formula
C17H22N4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCC3CCCCC3
InChI
InChI=1S/C17H22N4O2S/c1-23-14-10-6-5-9-13(14)15(22)19-17-21-20-16(24-17)18-11-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20)(H,19,21,22)
InChIKey
UEYBYNFVFDKTPG-UHFFFAOYSA-N
Compound name
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.14636 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15364 178.3
[M+Na]+ 369.13558 182.2
[M-H]- 345.13908 184.7
[M+NH4]+ 364.18018 190.0
[M+K]+ 385.10952 177.6
[M+H-H2O]+ 329.14362 168.6
[M+HCOO]- 391.14456 193.8
[M+CH3COO]- 405.16021 212.5
[M+Na-2H]- 367.12103 178.3
[M]+ 346.14581 176.8
[M]- 346.14691 176.8
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.