CID 3054788

1h-indole, 3,3'-((tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di-2,1-ethanediyl)bis(2-methyl-

Structural Information

Molecular Formula
C27H34N4
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCCN(CC3)CCC4=C(NC5=CC=CC=C54)C
InChI
InChI=1S/C27H34N4/c1-20-22(24-8-3-5-10-26(24)28-20)12-16-30-14-7-15-31(19-18-30)17-13-23-21(2)29-27-11-6-4-9-25(23)27/h3-6,8-11,28-29H,7,12-19H2,1-2H3
InChIKey
FMQWTXGMQAUZHB-UHFFFAOYSA-N
Compound name
2-methyl-3-[2-[4-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-yl]ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.27835 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.28563 208.3
[M+Na]+ 437.26757 220.7
[M+NH4]+ 432.31217 214.7
[M+K]+ 453.24151 215.7
[M-H]- 413.27107 212.4
[M+Na-2H]- 435.25302 213.4
[M]+ 414.27780 211.3
[M]- 414.27890 211.3
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.