CID 204451

Indene-3-ethylamine, n,n-diethyl-2-(p-trifluoromethyl)benzyl-, oxalate (1:1)

Structural Information

Molecular Formula
C23H26F3N
SMILES
CCN(CC)CCC1=C(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C23H26F3N/c1-3-27(4-2)14-13-22-19(16-18-7-5-6-8-21(18)22)15-17-9-11-20(12-10-17)23(24,25)26/h5-12H,3-4,13-16H2,1-2H3
InChIKey
LSWWTOCULABIFG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-3H-inden-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.20172 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20900 192.5
[M+Na]+ 396.19094 199.2
[M-H]- 372.19444 197.0
[M+NH4]+ 391.23554 208.0
[M+K]+ 412.16488 192.9
[M+H-H2O]+ 356.19898 181.6
[M+HCOO]- 418.19992 210.9
[M+CH3COO]- 432.21557 225.7
[M+Na-2H]- 394.17639 192.3
[M]+ 373.20117 192.0
[M]- 373.20227 192.0
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.