CID 393321

Nsc694986

Structural Information

Molecular Formula
C22H21N3O2
SMILES
COC1=CC2=C(C=C1)NC(=C2)C(CC3=CN=CC=C3)(CC4=CN=CC=C4)O
InChI
InChI=1S/C22H21N3O2/c1-27-19-6-7-20-18(10-19)11-21(25-20)22(26,12-16-4-2-8-23-14-16)13-17-5-3-9-24-15-17/h2-11,14-15,25-26H,12-13H2,1H3
InChIKey
TWDFZWIOFZVKEX-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 187.0
[M+Na]+ 382.15262 194.6
[M-H]- 358.15612 191.4
[M+NH4]+ 377.19722 196.3
[M+K]+ 398.12656 187.0
[M+H-H2O]+ 342.16066 176.4
[M+HCOO]- 404.16160 203.4
[M+CH3COO]- 418.17725 195.8
[M+Na-2H]- 380.13807 192.9
[M]+ 359.16285 187.8
[M]- 359.16395 187.8
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.