CID 253631

602-04-0

Structural Information

Molecular Formula
C28H25N3
SMILES
CC1=C(C2=CC=CC=C2N1)C(C3=C(NC4=CC=CC=C43)C)C5=C(NC6=CC=CC=C65)C
InChI
InChI=1S/C28H25N3/c1-16-25(19-10-4-7-13-22(19)29-16)28(26-17(2)30-23-14-8-5-11-20(23)26)27-18(3)31-24-15-9-6-12-21(24)27/h4-15,28-31H,1-3H3
InChIKey
VSUPNIKEXVROFO-UHFFFAOYSA-N
Compound name
3-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

patents stripe