CID 205589

18266-65-4

Structural Information

Molecular Formula
C22H27N
SMILES
CCN(CC)CCC1=CC(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C22H27N/c1-3-23(4-2)15-14-19-17-20(16-18-10-6-5-7-11-18)22-13-9-8-12-21(19)22/h5-13,17,20H,3-4,14-16H2,1-2H3
InChIKey
QQVPMMWTPZRSAJ-UHFFFAOYSA-N
Compound name
2-(3-benzyl-3H-inden-1-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22164 177.8
[M+Na]+ 328.20358 183.3
[M-H]- 304.20708 185.9
[M+NH4]+ 323.24818 195.8
[M+K]+ 344.17752 178.1
[M+H-H2O]+ 288.21162 169.2
[M+HCOO]- 350.21256 201.5
[M+CH3COO]- 364.22821 213.9
[M+Na-2H]- 326.18903 179.9
[M]+ 305.21381 180.3
[M]- 305.21491 180.3
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.