CID 30396

Itf 635

Structural Information

Molecular Formula
C26H33N3O3
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCCN4CCCCC4
InChI
InChI=1S/C26H33N3O3/c1-2-3-19-32-26(30)21-12-14-22(15-13-21)29-24-11-6-5-10-23(24)25(27-29)31-20-9-18-28-16-7-4-8-17-28/h5-6,10-15H,2-4,7-9,16-20H2,1H3
InChIKey
PIJRBHVNTJYRMN-UHFFFAOYSA-N
Compound name
butyl 4-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.2522 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.259476 209.2
[M+Na]+ 458.241418 212.9
[M-H]- 434.244924 214.2
[M+NH4]+ 453.286023 216.3
[M+K]+ 474.215358 206.7
[M+H-H2O]+ 418.249460 196.3
[M+HCOO]- 480.250401 223.7
[M+CH3COO]- 494.266051 228.6
[M+Na-2H]- 456.226866 207.8
[M]+ 435.25165142 211.3
[M]- 435.25274858 211.3
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.