CID 362368

Nsc626113

Structural Information

Molecular Formula
C17H16N2
SMILES
CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3
InChI
InChI=1S/C17H16N2/c1-11-17(13-7-3-5-9-15(13)18-11)16-10-12-6-2-4-8-14(12)19-16/h2-9,16,18-19H,10H2,1H3
InChIKey
KYYMMFFMIYBQGE-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-indol-2-yl)-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 156.7
[M+Na]+ 271.12057 166.7
[M-H]- 247.12407 161.0
[M+NH4]+ 266.16517 175.9
[M+K]+ 287.09451 159.1
[M+H-H2O]+ 231.12861 149.5
[M+HCOO]- 293.12955 175.8
[M+CH3COO]- 307.14520 168.7
[M+Na-2H]- 269.10602 160.1
[M]+ 248.13080 154.8
[M]- 248.13190 154.8
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.