CID 364674

Nsc631307

Structural Information

Molecular Formula
C26H25N3
SMILES
CN(C)C1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C26H25N3/c1-29(2)26-14-8-3-9-18(26)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h3-14,16-17,21,27-28H,15H2,1-2H3
InChIKey
OFALCFCSOABDDU-UHFFFAOYSA-N
Compound name
2-[2,2-bis(1H-indol-3-yl)ethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.20483 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21211 191.9
[M+Na]+ 402.19405 199.4
[M-H]- 378.19755 200.5
[M+NH4]+ 397.23865 205.1
[M+K]+ 418.16799 191.1
[M+H-H2O]+ 362.20209 182.1
[M+HCOO]- 424.20303 212.1
[M+CH3COO]- 438.21868 201.5
[M+Na-2H]- 400.17950 193.5
[M]+ 379.20428 193.0
[M]- 379.20538 193.0
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.