CID 20938

1-(2-diethylaminoethyl)-3-(1-methyl-2-pyrrolidinyl)indole dihydrochloride

Structural Information

Molecular Formula
C19H29N3
SMILES
CCN(CC)CCN1C=C(C2=CC=CC=C21)C3CCCN3C
InChI
InChI=1S/C19H29N3/c1-4-21(5-2)13-14-22-15-17(18-11-8-12-20(18)3)16-9-6-7-10-19(16)22/h6-7,9-10,15,18H,4-5,8,11-14H2,1-3H3
InChIKey
MLZGVYBPZZAFJG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[3-(1-methylpyrrolidin-2-yl)indol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.23615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.24343 175.7
[M+Na]+ 322.22537 182.2
[M-H]- 298.22887 181.9
[M+NH4]+ 317.26997 193.5
[M+K]+ 338.19931 178.2
[M+H-H2O]+ 282.23341 166.6
[M+HCOO]- 344.23435 197.2
[M+CH3COO]- 358.25000 211.9
[M+Na-2H]- 320.21082 175.1
[M]+ 299.23560 178.2
[M]- 299.23670 178.2
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

patents stripe