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 204.9
[M+Na]+ 444.22576 209.0
[M-H]- 420.22926 210.1
[M+NH4]+ 439.27036 212.6
[M+K]+ 460.19970 203.1
[M+H-H2O]+ 404.23380 192.2
[M+HCOO]- 466.23474 219.8
[M+CH3COO]- 480.25039 211.9
[M+Na-2H]- 442.21121 204.1
[M]+ 421.23599 206.7
[M]- 421.23709 206.7
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.