CID 42506

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

Structural Information

Molecular Formula
C26H38N4
SMILES
CCN(CC)CCN(CCN(CC)CC)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C26H38N4/c1-5-27(6-2)18-20-29(21-19-28(7-3)8-4)30-22-25(23-14-10-9-11-15-23)24-16-12-13-17-26(24)30/h9-17,22H,5-8,18-21H2,1-4H3
InChIKey
YDVUIRFYPIHISF-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.30966 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.31694 207.4
[M+Na]+ 429.29888 210.2
[M-H]- 405.30238 216.4
[M+NH4]+ 424.34348 220.3
[M+K]+ 445.27282 206.8
[M+H-H2O]+ 389.30692 195.7
[M+HCOO]- 451.30786 232.6
[M+CH3COO]- 465.32351 244.3
[M+Na-2H]- 427.28433 208.1
[M]+ 406.30911 214.3
[M]- 406.31021 214.3
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

patents stripe