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 167.1
[M+Na]+ 312.13186 175.1
[M-H]- 288.13536 167.2
[M+NH4]+ 307.17646 181.8
[M+K]+ 328.10580 171.4
[M+H-H2O]+ 272.13990 158.8
[M+HCOO]- 334.14084 181.7
[M+CH3COO]- 348.15649 201.1
[M+Na-2H]- 310.11731 169.6
[M]+ 289.14209 169.1
[M]- 289.14319 169.1
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.