CID 163826

Gyki-16084

Structural Information

Molecular Formula
C16H19N3O3
SMILES
C1C(OC2=CC=CC=C2O1)CNCCCN3C(=O)C=CC=N3
InChI
InChI=1S/C16H19N3O3/c20-16-7-3-9-18-19(16)10-4-8-17-11-13-12-21-14-5-1-2-6-15(14)22-13/h1-3,5-7,9,13,17H,4,8,10-12H2
InChIKey
FJNRJBQUOQLUNQ-UHFFFAOYSA-N
Compound name
2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

138
Patents

301.14264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 170.7
[M+Na]+ 324.13186 184.7
[M+NH4]+ 319.17646 177.7
[M+K]+ 340.10580 177.6
[M-H]- 300.13536 177.0
[M+Na-2H]- 322.11731 177.1
[M]+ 301.14209 174.4
[M]- 301.14319 174.4
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

patents stripe