CID 3045525

1h-indole-2-ethanamine, alpha,alpha-dimethyl-3-(1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-4-pyridinyl)-, dihydrochloride, dihydrate

Structural Information

Molecular Formula
C21H31N3
SMILES
CC1(CC(=CC(N1)(C)C)C2=C(NC3=CC=CC=C32)CC(C)(C)N)C
InChI
InChI=1S/C21H31N3/c1-19(2,22)13-17-18(15-9-7-8-10-16(15)23-17)14-11-20(3,4)24-21(5,6)12-14/h7-11,23-24H,12-13,22H2,1-6H3
InChIKey
IAXBNFPSCJTSFI-UHFFFAOYSA-N
Compound name
2-methyl-1-[3-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-indol-2-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.25908 182.4
[M+Na]+ 348.24102 190.9
[M-H]- 324.24452 184.9
[M+NH4]+ 343.28562 199.7
[M+K]+ 364.21496 183.7
[M+H-H2O]+ 308.24906 175.5
[M+HCOO]- 370.25000 196.8
[M+CH3COO]- 384.26565 209.8
[M+Na-2H]- 346.22647 185.3
[M]+ 325.25125 179.8
[M]- 325.25235 179.8
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.