CID 3061669

Brn 5599723

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CC(CN1CCCC2=NC3=C(N21)C=C(C=C3)OC)C(=O)O
InChI
InChI=1S/C15H19N3O3/c1-10(15(19)20)9-17-7-3-4-14-16-12-6-5-11(21-2)8-13(12)18(14)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKey
CUPYCNPOZUIZSP-UHFFFAOYSA-N
Compound name
3-(8-methoxy-3,4-dihydro-2H-pyridazino[1,6-a]benzimidazol-1-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 166.6
[M+Na]+ 312.13186 178.1
[M+NH4]+ 307.17646 172.9
[M+K]+ 328.10580 174.9
[M-H]- 288.13536 166.0
[M+Na-2H]- 310.11731 169.0
[M]+ 289.14209 167.8
[M]- 289.14319 167.8
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.