CID 254324

Nsc78571

Structural Information

Molecular Formula
C28H25N3
SMILES
CC1=C(NC2=CC=CC=C12)C(C3=C(C4=CC=CC=C4N3)C)C5=C(C6=CC=CC=C6N5)C
InChI
InChI=1S/C28H25N3/c1-16-19-10-4-7-13-22(19)29-26(16)25(27-17(2)20-11-5-8-14-23(20)30-27)28-18(3)21-12-6-9-15-24(21)31-28/h4-15,25,29-31H,1-3H3
InChIKey
QBMNQDIFIOJXED-UHFFFAOYSA-N
Compound name
2-[bis(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20483 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.21211 199.1
[M+Na]+ 426.19405 210.6
[M-H]- 402.19755 207.2
[M+NH4]+ 421.23865 212.8
[M+K]+ 442.16799 200.0
[M+H-H2O]+ 386.20209 191.1
[M+HCOO]- 448.20303 216.3
[M+CH3COO]- 462.21868 208.8
[M+Na-2H]- 424.17950 197.0
[M]+ 403.20428 201.8
[M]- 403.20538 201.8
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

No patent data available for this compound.