CID 362372

Nsc626115

Structural Information

Molecular Formula
C26H25N3
SMILES
CC1=NC2=CC=CC=C2C1C(CC3=CC=CC=C3N)C4=C(NC5=CC=CC=C54)C
InChI
InChI=1S/C26H25N3/c1-16-25(19-10-4-7-13-23(19)28-16)21(15-18-9-3-6-12-22(18)27)26-17(2)29-24-14-8-5-11-20(24)26/h3-14,21,25,29H,15,27H2,1-2H3
InChIKey
ANOKOMZFWQISDW-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-1H-indol-3-yl)-2-(2-methyl-3H-indol-3-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.20483 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21211 194.3
[M+Na]+ 402.19405 203.2
[M-H]- 378.19755 202.9
[M+NH4]+ 397.23865 208.0
[M+K]+ 418.16799 194.1
[M+H-H2O]+ 362.20209 184.9
[M+HCOO]- 424.20303 213.6
[M+CH3COO]- 438.21868 204.0
[M+Na-2H]- 400.17950 193.6
[M]+ 379.20428 194.6
[M]- 379.20538 194.6
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.