CID 207092

29138-41-8

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN)C3=CC=CC=C3)C
InChI
InChI=1S/C19H23NO/c1-18(2)16-11-6-7-12-17(16)19(21-18,13-8-14-20)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14,20H2,1-2H3
InChIKey
NJYNCMHYICBAKH-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 167.5
[M+Na]+ 304.16720 175.7
[M-H]- 280.17070 175.5
[M+NH4]+ 299.21180 188.6
[M+K]+ 320.14114 171.5
[M+H-H2O]+ 264.17524 160.7
[M+HCOO]- 326.17618 189.1
[M+CH3COO]- 340.19183 179.8
[M+Na-2H]- 302.15265 173.1
[M]+ 281.17743 168.3
[M]- 281.17853 168.3
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.