CID 37660

1h-indole-1-propylamine, 2,3-dihydro-n,n-diethyl-3-methyl-3-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C22H30N2
SMILES
CCN(CC)CCCN1CC(C2=CC=CC=C21)(C)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2/c1-4-23(5-2)16-11-17-24-18-22(3,19-12-7-6-8-13-19)20-14-9-10-15-21(20)24/h6-10,12-15H,4-5,11,16-18H2,1-3H3
InChIKey
CCSKJTYTOVXOLM-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 182.4
[M+Na]+ 345.23012 187.9
[M-H]- 321.23362 189.1
[M+NH4]+ 340.27472 200.4
[M+K]+ 361.20406 183.0
[M+H-H2O]+ 305.23816 173.1
[M+HCOO]- 367.23910 203.4
[M+CH3COO]- 381.25475 216.3
[M+Na-2H]- 343.21557 184.6
[M]+ 322.24035 184.3
[M]- 322.24145 184.3
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.