CID 468311

Chembl147411

Structural Information

Molecular Formula
C25H24N4O2
SMILES
C1CN(CCN1C2=C(C=CC=N2)OCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C25H24N4O2/c30-25(22-17-20-9-4-5-10-21(20)27-22)29-15-13-28(14-16-29)24-23(11-6-12-26-24)31-18-19-7-2-1-3-8-19/h1-12,17,27H,13-16,18H2
InChIKey
JCUWWSKESOKEOH-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-(3-phenylmethoxypyridin-2-yl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.1899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 199.5
[M+Na]+ 435.17912 204.6
[M-H]- 411.18262 205.7
[M+NH4]+ 430.22372 204.8
[M+K]+ 451.15306 196.3
[M+H-H2O]+ 395.18716 185.8
[M+HCOO]- 457.18810 212.4
[M+CH3COO]- 471.20375 206.0
[M+Na-2H]- 433.16457 200.5
[M]+ 412.18935 195.9
[M]- 412.19045 195.9
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.