CID 372682

Nsc648215

Structural Information

Molecular Formula
C26H21N3O2
SMILES
C1=CC=C2C(=C1)C=C(N2)C(C(C3=CC4=CC=CC=C4N3)(C5=CC6=CC=CC=C6N5)O)O
InChI
InChI=1S/C26H21N3O2/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/h1-15,25,27-31H
InChIKey
LXZAFHVQFKVVEB-UHFFFAOYSA-N
Compound name
1,1,2-tris(1H-indol-2-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1634 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17068 190.9
[M+Na]+ 430.15262 199.5
[M-H]- 406.15612 196.4
[M+NH4]+ 425.19722 202.2
[M+K]+ 446.12656 190.6
[M+H-H2O]+ 390.16066 184.2
[M+HCOO]- 452.16160 204.7
[M+CH3COO]- 466.17725 199.4
[M+Na-2H]- 428.13807 193.6
[M]+ 407.16285 190.9
[M]- 407.16395 190.9
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.