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
2
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]+ 475.250376 220.3
[M+Na]+ 497.232318 227.3
[M-H]- 473.235824 226.7
[M+NH4]+ 492.276923 224.5
[M+K]+ 513.206258 218.0
[M+H-H2O]+ 457.240360 204.7
[M+HCOO]- 519.241301 233.2
[M+CH3COO]- 533.256951 226.3
[M+Na-2H]- 495.217766 217.7
[M]+ 474.24255142 220.1
[M]- 474.24364858 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

patents stripe