CID 500878

2-[(4-ethylcyclohexanecarbonyl)amino]-n,n-dimethyl-1,3-benzothiazole-6-carboxamide

Structural Information

Molecular Formula
C19H25N3O2S
SMILES
CCC1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N(C)C
InChI
InChI=1S/C19H25N3O2S/c1-4-12-5-7-13(8-6-12)17(23)21-19-20-15-10-9-14(11-16(15)25-19)18(24)22(2)3/h9-13H,4-8H2,1-3H3,(H,20,21,23)
InChIKey
ZKLHHXMBBFQSJZ-UHFFFAOYSA-N
Compound name
2-[(4-ethylcyclohexanecarbonyl)amino]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.16675 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17403 185.4
[M+Na]+ 382.15597 190.2
[M-H]- 358.15947 192.5
[M+NH4]+ 377.20057 200.1
[M+K]+ 398.12991 186.7
[M+H-H2O]+ 342.16401 177.3
[M+HCOO]- 404.16495 200.6
[M+CH3COO]- 418.18060 221.1
[M+Na-2H]- 380.14142 183.5
[M]+ 359.16620 187.2
[M]- 359.16730 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.