CID 204447

16306-98-2

Structural Information

Molecular Formula
C22H27N
SMILES
CC(CC1=C(CC2=CC=CC=C21)CC3=CC=CC=C3)CN(C)C
InChI
InChI=1S/C22H27N/c1-17(16-23(2)3)13-22-20(14-18-9-5-4-6-10-18)15-19-11-7-8-12-21(19)22/h4-12,17H,13-16H2,1-3H3
InChIKey
CNOWLQLSZNPPBI-UHFFFAOYSA-N
Compound name
3-(2-benzyl-3H-inden-1-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22164 178.3
[M+Na]+ 328.20358 183.4
[M-H]- 304.20708 186.5
[M+NH4]+ 323.24818 196.2
[M+K]+ 344.17752 178.8
[M+H-H2O]+ 288.21162 169.9
[M+HCOO]- 350.21256 200.9
[M+CH3COO]- 364.22821 214.8
[M+Na-2H]- 326.18903 179.2
[M]+ 305.21381 180.2
[M]- 305.21491 180.2
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.