CID 11245918

94944-80-6

Structural Information

Molecular Formula
C27H26N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C27H26N2/c1-27(2,3)19-14-12-18(13-15-19)26(22-16-28-24-10-6-4-8-20(22)24)23-17-29-25-11-7-5-9-21(23)25/h4-17,26,28-29H,1-3H3
InChIKey
NCPVEZRBHNDCIV-UHFFFAOYSA-N
Compound name
3-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

15
Patents

378.2096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.216876 195.6
[M+Na]+ 401.198818 204.1
[M-H]- 377.202324 203.2
[M+NH4]+ 396.243423 208.9
[M+K]+ 417.172758 194.8
[M+H-H2O]+ 361.206860 186.9
[M+HCOO]- 423.207801 212.3
[M+CH3COO]- 437.223451 205.0
[M+Na-2H]- 399.184266 197.3
[M]+ 378.20905142 195.9
[M]- 378.21014858 195.9
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