CID 37672

2,3-dihydro-n,n-dimethyl-3-ethyl-3-phenyl-1h-indole-1-propylamine maleate

Structural Information

Molecular Formula
C21H28N2
SMILES
CCC1(CN(C2=CC=CC=C21)CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-4-21(18-11-6-5-7-12-18)17-23(16-10-15-22(2)3)20-14-9-8-13-19(20)21/h5-9,11-14H,4,10,15-17H2,1-3H3
InChIKey
CMUWLTVWVZTOJR-UHFFFAOYSA-N
Compound name
3-(3-ethyl-3-phenyl-2H-indol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 177.8
[M+Na]+ 331.21447 183.8
[M-H]- 307.21797 184.8
[M+NH4]+ 326.25907 196.4
[M+K]+ 347.18841 179.1
[M+H-H2O]+ 291.22251 168.7
[M+HCOO]- 353.22345 199.2
[M+CH3COO]- 367.23910 213.3
[M+Na-2H]- 329.19992 180.6
[M]+ 308.22470 179.4
[M]- 308.22580 179.4
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.