CID 460680

N-(benzothiophen-7-ylmethyl)-n-methyl-1-[4-(1-methyl-1-phenyl-ethyl)phenyl]methanamine

Structural Information

Molecular Formula
C26H27NS
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)CN(C)CC3=CC=CC4=C3SC=C4
InChI
InChI=1S/C26H27NS/c1-26(2,23-10-5-4-6-11-23)24-14-12-20(13-15-24)18-27(3)19-22-9-7-8-21-16-17-28-25(21)22/h4-17H,18-19H2,1-3H3
InChIKey
SSSPYGMILQXKIX-UHFFFAOYSA-N
Compound name
N-(1-benzothiophen-7-ylmethyl)-N-methyl-1-[4-(2-phenylpropan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.18643 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19371 196.7
[M+Na]+ 408.17565 203.9
[M-H]- 384.17915 208.6
[M+NH4]+ 403.22025 211.9
[M+K]+ 424.14959 197.3
[M+H-H2O]+ 368.18369 187.9
[M+HCOO]- 430.18463 215.4
[M+CH3COO]- 444.20028 207.3
[M+Na-2H]- 406.16110 198.6
[M]+ 385.18588 201.5
[M]- 385.18698 201.5
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.