CID 207188

Ag 278

Structural Information

Molecular Formula
C17H20BrN3O2
SMILES
CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C17H20BrN3O2/c1-13-11-16(14-3-2-4-15(18)12-14)19-21(17(13)22)6-5-20-7-9-23-10-8-20/h2-4,11-12H,5-10H2,1H3
InChIKey
ODPYQBNHJTYYHO-UHFFFAOYSA-N
Compound name
6-(3-bromophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.07388 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08116 180.7
[M+Na]+ 400.06310 190.5
[M-H]- 376.06660 188.8
[M+NH4]+ 395.10770 191.2
[M+K]+ 416.03704 179.1
[M+H-H2O]+ 360.07114 176.7
[M+HCOO]- 422.07208 194.5
[M+CH3COO]- 436.08773 191.9
[M+Na-2H]- 398.04855 185.0
[M]+ 377.07333 198.3
[M]- 377.07443 198.3
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.