CID 131801067

4ou9yyw8oj

Structural Information

Molecular Formula
C23H30N2O
SMILES
CC1=C(C2=C(C[C@H](O2)CN3CCC(CC3)C4=CC=CC=C4)C(=C1N)C)C
InChI
InChI=1S/C23H30N2O/c1-15-16(2)23-21(17(3)22(15)24)13-20(26-23)14-25-11-9-19(10-12-25)18-7-5-4-6-8-18/h4-8,19-20H,9-14,24H2,1-3H3/t20-/m0/s1
InChIKey
FZGIFVXXZBRMFW-FQEVSTJZSA-N
Compound name
(2S)-4,6,7-trimethyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

350.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 190.1
[M+Na]+ 373.225018 196.1
[M-H]- 349.228524 199.1
[M+NH4]+ 368.269623 203.1
[M+K]+ 389.198958 190.7
[M+H-H2O]+ 333.233060 180.8
[M+HCOO]- 395.234001 205.8
[M+CH3COO]- 409.249651 199.5
[M+Na-2H]- 371.210466 187.5
[M]+ 350.23525142 186.7
[M]- 350.23634858 186.7
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.