CID 3038461

Idenast

Structural Information

Molecular Formula
C28H31FN4O2
SMILES
COC1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)N2CCCCN4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H31FN4O2/c1-35-25-14-12-24(13-15-25)33-27-7-3-2-6-26(27)28(34)32(33)17-5-4-16-30-18-20-31(21-19-30)23-10-8-22(29)9-11-23/h2-3,6-15H,4-5,16-21H2,1H3
InChIKey
PQUOXFMVMMJVCE-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1-(4-methoxyphenyl)indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

474.2431 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.25038 220.3
[M+Na]+ 497.23232 227.3
[M-H]- 473.23582 226.7
[M+NH4]+ 492.27692 224.5
[M+K]+ 513.20626 218.0
[M+H-H2O]+ 457.24036 204.7
[M+HCOO]- 519.24130 233.2
[M+CH3COO]- 533.25695 226.3
[M+Na-2H]- 495.21777 217.7
[M]+ 474.24255 220.1
[M]- 474.24365 220.1
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.