CID 364677

Nsc631309

Structural Information

Molecular Formula
C18H18N2
SMILES
CC1=C(C2=CC=CC=C2N1C)C3CC4=CC=CC=C4N3
InChI
InChI=1S/C18H18N2/c1-12-18(14-8-4-6-10-17(14)20(12)2)16-11-13-7-3-5-9-15(13)19-16/h3-10,16,19H,11H2,1-2H3
InChIKey
GIRLLJGVHXSAJO-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-indol-2-yl)-1,2-dimethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 162.0
[M+Na]+ 285.13622 172.9
[M-H]- 261.13972 167.8
[M+NH4]+ 280.18082 181.6
[M+K]+ 301.11016 165.8
[M+H-H2O]+ 245.14426 154.5
[M+HCOO]- 307.14520 182.1
[M+CH3COO]- 321.16085 174.5
[M+Na-2H]- 283.12167 164.4
[M]+ 262.14645 162.5
[M]- 262.14755 162.5
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.