CID 9550710

902523-58-4

Structural Information

Molecular Formula
C20H23ClN2O3S
SMILES
CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2C)C=C(S3)Cl)OCC
InChI
InChI=1S/C20H23ClN2O3S/c1-4-25-16-7-6-13(10-17(16)26-5-2)8-9-22-20(24)15-11-18-14(23(15)3)12-19(21)27-18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)
InChIKey
DGNXYXASQJMULD-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

406.1118 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11908 198.1
[M+Na]+ 429.10102 208.5
[M-H]- 405.10452 205.9
[M+NH4]+ 424.14562 214.4
[M+K]+ 445.07496 202.5
[M+H-H2O]+ 389.10906 191.9
[M+HCOO]- 451.11000 213.1
[M+CH3COO]- 465.12565 223.0
[M+Na-2H]- 427.08647 195.0
[M]+ 406.11125 210.4
[M]- 406.11235 210.4
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.