CID 23803

Alpha-(dibenzylaminomethyl)benzo(b)thiophene-3-methanol hydrochloride

Structural Information

Molecular Formula
C24H23NOS
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(C3=CSC4=CC=CC=C43)O
InChI
InChI=1S/C24H23NOS/c26-23(22-18-27-24-14-8-7-13-21(22)24)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,18,23,26H,15-17H2
InChIKey
HFULDFYSIIVVGS-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-2-(dibenzylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15002 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15730 187.8
[M+Na]+ 396.13924 202.9
[M+NH4]+ 391.18384 198.0
[M+K]+ 412.11318 192.6
[M-H]- 372.14274 196.4
[M+Na-2H]- 394.12469 199.3
[M]+ 373.14947 193.1
[M]- 373.15057 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.