CID 370357

Nsc643420

Structural Information

Molecular Formula
C27H23N3O
SMILES
C=CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C27H23N3O/c1-2-27(31)30-24-12-6-3-9-18(24)15-21(22-16-28-25-13-7-4-10-19(22)25)23-17-29-26-14-8-5-11-20(23)26/h2-14,16-17,21,28-29H,1,15H2,(H,30,31)
InChIKey
XVWJGTLUIRCHGF-UHFFFAOYSA-N
Compound name
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1841 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19138 197.6
[M+Na]+ 428.17332 204.6
[M-H]- 404.17682 205.0
[M+NH4]+ 423.21792 208.9
[M+K]+ 444.14726 195.1
[M+H-H2O]+ 388.18136 188.1
[M+HCOO]- 450.18230 216.5
[M+CH3COO]- 464.19795 206.1
[M+Na-2H]- 426.15877 198.6
[M]+ 405.18355 197.3
[M]- 405.18465 197.3
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.