CID 3071

3,3'-diindolylmethane

Structural Information

Molecular Formula
C17H14N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChIKey
VFTRKSBEFQDZKX-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

546
References

4211
Patents

246.11569 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12297 154.0
[M+Na]+ 269.10491 165.2
[M-H]- 245.10841 158.8
[M+NH4]+ 264.14951 173.2
[M+K]+ 285.07885 157.2
[M+H-H2O]+ 229.11295 146.7
[M+HCOO]- 291.11389 176.0
[M+CH3COO]- 305.12954 166.8
[M+Na-2H]- 267.09036 160.3
[M]+ 246.11514 154.6
[M]- 246.11624 154.6
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