CID 3035594

131185-37-0

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

128
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 189.0
[M+Na]+ 397.12710 198.8
[M-H]- 373.13060 194.1
[M+NH4]+ 392.17170 197.1
[M+K]+ 413.10104 191.4
[M+H-H2O]+ 357.13514 177.3
[M+HCOO]- 419.13608 206.8
[M+CH3COO]- 433.15173 198.3
[M+Na-2H]- 395.11255 192.2
[M]+ 374.13733 192.3
[M]- 374.13843 192.3
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.