CID 207120

2-benzyl-n,n-diethyl-5-methoxy-indene-3-ethylamine oxalate

Structural Information

Molecular Formula
C23H29NO
SMILES
CCN(CC)CCC1=C(CC2=C1C=C(C=C2)OC)CC3=CC=CC=C3
InChI
InChI=1S/C23H29NO/c1-4-24(5-2)14-13-22-20(15-18-9-7-6-8-10-18)16-19-11-12-21(25-3)17-23(19)22/h6-12,17H,4-5,13-16H2,1-3H3
InChIKey
IWFAWMDVFCYUBD-UHFFFAOYSA-N
Compound name
2-(2-benzyl-6-methoxy-3H-inden-1-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 185.8
[M+Na]+ 358.21412 191.7
[M-H]- 334.21762 194.2
[M+NH4]+ 353.25872 202.9
[M+K]+ 374.18806 187.0
[M+H-H2O]+ 318.22216 177.2
[M+HCOO]- 380.22310 209.4
[M+CH3COO]- 394.23875 220.0
[M+Na-2H]- 356.19957 186.8
[M]+ 335.22435 190.5
[M]- 335.22545 190.5
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.