CID 30393

20954-14-7

Structural Information

Molecular Formula
C25H31N3O3
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN4CCCCC4
InChI
InChI=1S/C25H31N3O3/c1-2-3-18-31-25(29)20-11-13-21(14-12-20)28-23-10-6-5-9-22(23)24(26-28)30-19-17-27-15-7-4-8-16-27/h5-6,9-14H,2-4,7-8,15-19H2,1H3
InChIKey
WNFPNMLOMZOGLE-UHFFFAOYSA-N
Compound name
butyl 4-[3-(2-piperidin-1-ylethoxy)indazol-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.23654 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24382 205.5
[M+Na]+ 444.22576 218.8
[M+NH4]+ 439.27036 211.6
[M+K]+ 460.19970 212.0
[M-H]- 420.22926 209.7
[M+Na-2H]- 442.21121 212.2
[M]+ 421.23599 208.5
[M]- 421.23709 208.5
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.