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]+ 306.221636 177.8
[M+Na]+ 328.203578 183.3
[M-H]- 304.207084 185.9
[M+NH4]+ 323.248183 195.8
[M+K]+ 344.177518 178.1
[M+H-H2O]+ 288.211620 169.2
[M+HCOO]- 350.212561 201.5
[M+CH3COO]- 364.228211 213.9
[M+Na-2H]- 326.189026 179.9
[M]+ 305.21381142 180.3
[M]- 305.21490858 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.