CID 254323

1,1,1-tris(3-indolyl)methane

Structural Information

Molecular Formula
C25H19N3
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C25H19N3/c1-4-10-22-16(7-1)19(13-26-22)25(20-14-27-23-11-5-2-8-17(20)23)21-15-28-24-12-6-3-9-18(21)24/h1-15,25-28H
InChIKey
AXZRNKFNIAOZEK-UHFFFAOYSA-N
Compound name
3-[bis(1H-indol-3-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

361.1579 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16518 181.6
[M+Na]+ 384.14712 192.1
[M-H]- 360.15062 189.2
[M+NH4]+ 379.19172 196.2
[M+K]+ 400.12106 182.0
[M+H-H2O]+ 344.15516 173.5
[M+HCOO]- 406.15610 200.0
[M+CH3COO]- 420.17175 191.9
[M+Na-2H]- 382.13257 183.6
[M]+ 361.15735 182.3
[M]- 361.15845 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe