CID 5387791

Nsc627396

Structural Information

Molecular Formula
C20H18N2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=C/C3=C(NC4=CC=CC=C43)C
InChI
InChI=1S/C20H18N2/c1-13-15(17-7-3-5-9-19(17)21-13)11-12-16-14(2)22-20-10-6-4-8-18(16)20/h3-12,21-22H,1-2H3/b12-11+
InChIKey
MGQNZDPKLYABSX-VAWYXSNFSA-N
Compound name
2-methyl-3-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.147 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15428 168.9
[M+Na]+ 309.13622 180.8
[M-H]- 285.13972 174.0
[M+NH4]+ 304.18082 187.0
[M+K]+ 325.11016 171.6
[M+H-H2O]+ 269.14426 161.5
[M+HCOO]- 331.14520 189.9
[M+CH3COO]- 345.16085 181.0
[M+Na-2H]- 307.12167 171.9
[M]+ 286.14645 170.4
[M]- 286.14755 170.4
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.