CID 372681

Nsc648214

Structural Information

Molecular Formula
C26H19N3O2
SMILES
C1=CC=C2C(=C1)C=C(N2)C(=O)C(C3=CC4=CC=CC=C4N3)(C5=CC6=CC=CC=C6N5)O
InChI
InChI=1S/C26H19N3O2/c30-25(22-13-16-7-1-4-10-19(16)27-22)26(31,23-14-17-8-2-5-11-20(17)28-23)24-15-18-9-3-6-12-21(18)29-24/h1-15,27-29,31H
InChIKey
PZTUXCCLBIOISZ-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2,2-tris(1H-indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.14774 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15502 192.3
[M+Na]+ 428.13696 201.6
[M-H]- 404.14046 199.0
[M+NH4]+ 423.18156 204.2
[M+K]+ 444.11090 192.7
[M+H-H2O]+ 388.14500 185.2
[M+HCOO]- 450.14594 207.6
[M+CH3COO]- 464.16159 201.3
[M+Na-2H]- 426.12241 195.0
[M]+ 405.14719 193.1
[M]- 405.14829 193.1
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.