CID 3047897

63868-69-9

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCNC)C3=CC=CC=C3)C
InChI
InChI=1S/C19H23NO/c1-18(2)16-11-7-8-12-17(16)19(21-18,13-14-20-3)15-9-5-4-6-10-15/h4-12,20H,13-14H2,1-3H3
InChIKey
SOOIOPAJHYHSGQ-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 166.6
[M+Na]+ 304.16720 174.7
[M-H]- 280.17070 175.0
[M+NH4]+ 299.21180 187.9
[M+K]+ 320.14114 171.0
[M+H-H2O]+ 264.17524 159.7
[M+HCOO]- 326.17618 188.9
[M+CH3COO]- 340.19183 179.2
[M+Na-2H]- 302.15265 173.3
[M]+ 281.17743 168.4
[M]- 281.17853 168.4
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.