CID 107896

Gabazine

Structural Information

Molecular Formula
C15H17N3O3
SMILES
COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O
InChI
InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
InChIKey
ACVGNKYJVGNLIL-UHFFFAOYSA-N
Compound name
4-[6-imino-3-(4-methoxyphenyl)pyridazin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

632
References

59
Patents

287.12698 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 166.3
[M+Na]+ 310.11620 179.1
[M+NH4]+ 305.16080 171.7
[M+K]+ 326.09014 173.2
[M-H]- 286.11970 168.3
[M+Na-2H]- 308.10165 173.2
[M]+ 287.12643 168.4
[M]- 287.12753 168.4
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