CID 37666

1h-indole-1-ethylamine, 2,3-dihydro-3-phenyl-n,n,3-triethyl-, fumarate (1:1)

Structural Information

Molecular Formula
C22H30N2
SMILES
CCC1(CN(C2=CC=CC=C21)CCN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2/c1-4-22(19-12-8-7-9-13-19)18-24(17-16-23(5-2)6-3)21-15-11-10-14-20(21)22/h7-15H,4-6,16-18H2,1-3H3
InChIKey
UDQNKGYKFUIPOW-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethanamine
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]+ 323.248176 182.4
[M+Na]+ 345.230118 187.9
[M-H]- 321.233624 189.1
[M+NH4]+ 340.274723 200.4
[M+K]+ 361.204058 183.0
[M+H-H2O]+ 305.238160 173.1
[M+HCOO]- 367.239101 203.4
[M+CH3COO]- 381.254751 216.3
[M+Na-2H]- 343.215566 184.6
[M]+ 322.24035142 184.3
[M]- 322.24144858 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.