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]+ 282.185256 167.5
[M+Na]+ 304.167198 175.7
[M-H]- 280.170704 175.5
[M+NH4]+ 299.211803 188.6
[M+K]+ 320.141138 171.5
[M+H-H2O]+ 264.175240 160.7
[M+HCOO]- 326.176181 189.1
[M+CH3COO]- 340.191831 179.8
[M+Na-2H]- 302.152646 173.1
[M]+ 281.17743142 168.3
[M]- 281.17852858 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.