CID 53098

1-(bis(2-(diethylamino)ethyl)amino)-5-methyl-3-phenylindole dihydrochloride

Structural Information

Molecular Formula
C27H40N4
SMILES
CCN(CC)CCN(CCN(CC)CC)N1C=C(C2=C1C=CC(=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C27H40N4/c1-6-28(7-2)17-19-30(20-18-29(8-3)9-4)31-22-26(24-13-11-10-12-14-24)25-21-23(5)15-16-27(25)31/h10-16,21-22H,6-9,17-20H2,1-5H3
InChIKey
QOCLMJIJUUYDAC-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-(5-methyl-3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.3253 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.33258 212.5
[M+Na]+ 443.31452 215.8
[M-H]- 419.31802 221.7
[M+NH4]+ 438.35912 225.2
[M+K]+ 459.28846 212.2
[M+H-H2O]+ 403.32256 200.9
[M+HCOO]- 465.32350 237.3
[M+CH3COO]- 479.33915 248.4
[M+Na-2H]- 441.29997 211.9
[M]+ 420.32475 220.1
[M]- 420.32585 220.1
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.