CID 3035594

Fk-838

Structural Information

Molecular Formula
C21H18N4O3
SMILES
C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCC(=O)O
InChI
InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
InChIKey
FKJPZJACCBMNKZ-UHFFFAOYSA-N
Compound name
4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

83
Patents

374.13788 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 188.7
[M+Na]+ 397.12710 205.2
[M+NH4]+ 392.17170 194.2
[M+K]+ 413.10104 199.4
[M-H]- 373.13060 192.2
[M+Na-2H]- 395.11255 197.6
[M]+ 374.13733 192.0
[M]- 374.13843 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe