CID 3070045

85674-11-9

Structural Information

Molecular Formula
C28H29FN4O
SMILES
C1CN(CCN1CCCN2C(=O)C=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H29FN4O/c29-24-12-14-25(15-13-24)31-20-18-30(19-21-31)16-7-17-32-28(34)22-27(23-8-3-1-4-9-23)33(32)26-10-5-2-6-11-26/h1-6,8-15,22H,7,16-21H2
InChIKey
QGGAEVKFTWHDFW-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1,5-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.23254 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.23982 214.8
[M+Na]+ 479.22176 220.2
[M-H]- 455.22526 222.7
[M+NH4]+ 474.26636 218.1
[M+K]+ 495.19570 210.3
[M+H-H2O]+ 439.22980 198.5
[M+HCOO]- 501.23074 227.7
[M+CH3COO]- 515.24639 220.5
[M+Na-2H]- 477.20721 211.4
[M]+ 456.23199 210.1
[M]- 456.23309 210.1
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.