CID 372678

Nsc648211

Structural Information

Molecular Formula
C22H22N2
SMILES
CN1C2=C(C(CCC2)C3=CC4=CC=CC=C4N3C)C5=CC=CC=C51
InChI
InChI=1S/C22H22N2/c1-23-18-11-5-3-8-15(18)14-21(23)17-10-7-13-20-22(17)16-9-4-6-12-19(16)24(20)2/h3-6,8-9,11-12,14,17H,7,10,13H2,1-2H3
InChIKey
KYLCCIGFJWPEHU-UHFFFAOYSA-N
Compound name
9-methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18556 177.1
[M+Na]+ 337.16750 188.5
[M-H]- 313.17100 185.1
[M+NH4]+ 332.21210 196.1
[M+K]+ 353.14144 180.6
[M+H-H2O]+ 297.17554 168.3
[M+HCOO]- 359.17648 196.7
[M+CH3COO]- 373.19213 189.1
[M+Na-2H]- 335.15295 179.0
[M]+ 314.17773 179.5
[M]- 314.17883 179.5
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.