CID 494575

Nsc627506

Structural Information

Molecular Formula
C24H22N2
SMILES
CC1=CC2C(CC1)C(C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C24H22N2/c1-14-10-11-16-18(12-14)23-17-7-3-5-9-21(17)26-24(23)22(16)19-13-25-20-8-4-2-6-15(19)20/h2-9,12-13,16,18,22,25-26H,10-11H2,1H3
InChIKey
JJBFCBBFYLXEGZ-UHFFFAOYSA-N
Compound name
6-(1H-indol-3-yl)-9-methyl-5,6,6a,7,8,10a-hexahydroindeno[2,1-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17828 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18556 180.2
[M+Na]+ 361.16750 190.9
[M-H]- 337.17100 187.3
[M+NH4]+ 356.21210 199.5
[M+K]+ 377.14144 181.2
[M+H-H2O]+ 321.17554 173.2
[M+HCOO]- 383.17648 197.0
[M+CH3COO]- 397.19213 191.0
[M+Na-2H]- 359.15295 179.9
[M]+ 338.17773 180.0
[M]- 338.17883 180.0
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.