CID 3012976

Benzo[b]thiophen-6-amine, n-(3,4-dimethoxyphenyl)-2,3,5-trimethyl-

Structural Information

Molecular Formula
C19H21NO2S
SMILES
CC1=CC2=C(C=C1NC3=CC(=C(C=C3)OC)OC)SC(=C2C)C
InChI
InChI=1S/C19H21NO2S/c1-11-8-15-12(2)13(3)23-19(15)10-16(11)20-14-6-7-17(21-4)18(9-14)22-5/h6-10,20H,1-5H3
InChIKey
GDZNBPNRPGGQBG-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxyphenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

327.1293 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 176.0
[M+Na]+ 350.11852 187.5
[M-H]- 326.12202 185.4
[M+NH4]+ 345.16312 194.6
[M+K]+ 366.09246 182.2
[M+H-H2O]+ 310.12656 169.3
[M+HCOO]- 372.12750 197.0
[M+CH3COO]- 386.14315 213.8
[M+Na-2H]- 348.10397 176.7
[M]+ 327.12875 184.9
[M]- 327.12985 184.9
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.