CID 3118317

2-({[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C17H20Cl2N2O2S
SMILES
CC1(C(C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C=C(Cl)Cl)C
InChI
InChI=1S/C17H20Cl2N2O2S/c1-17(2)9(7-11(18)19)13(17)15(23)21-16-12(14(20)22)8-5-3-4-6-10(8)24-16/h7,9,13H,3-6H2,1-2H3,(H2,20,22)(H,21,23)
InChIKey
AYKAFPCYVLBBNK-UHFFFAOYSA-N
Compound name
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.06226 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06954 174.5
[M+Na]+ 409.05148 182.1
[M-H]- 385.05498 180.7
[M+NH4]+ 404.09608 187.3
[M+K]+ 425.02542 175.1
[M+H-H2O]+ 369.05952 172.2
[M+HCOO]- 431.06046 179.0
[M+CH3COO]- 445.07611 221.4
[M+Na-2H]- 407.03693 171.3
[M]+ 386.06171 179.2
[M]- 386.06281 179.2
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.