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]+ 263.154276 162.0
[M+Na]+ 285.136218 172.9
[M-H]- 261.139724 167.8
[M+NH4]+ 280.180823 181.6
[M+K]+ 301.110158 165.8
[M+H-H2O]+ 245.144260 154.5
[M+HCOO]- 307.145201 182.1
[M+CH3COO]- 321.160851 174.5
[M+Na-2H]- 283.121666 164.4
[M]+ 262.14645142 162.5
[M]- 262.14754858 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.