CID 208818

Ag 293

Structural Information

Molecular Formula
C17H22BrN3O3
SMILES
CC1(CC(=NN(C1=O)CCN2CCOCC2)C3=CC(=CC=C3)Br)O
InChI
InChI=1S/C17H22BrN3O3/c1-17(23)12-15(13-3-2-4-14(18)11-13)19-21(16(17)22)6-5-20-7-9-24-10-8-20/h2-4,11,23H,5-10,12H2,1H3
InChIKey
STQWQYKZGJBINW-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-5-hydroxy-5-methyl-1-(2-morpholin-4-ylethyl)-4H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.08444 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.09172 184.3
[M+Na]+ 418.07366 192.5
[M-H]- 394.07716 190.8
[M+NH4]+ 413.11826 195.1
[M+K]+ 434.04760 181.8
[M+H-H2O]+ 378.08170 180.9
[M+HCOO]- 440.08264 194.3
[M+CH3COO]- 454.09829 194.2
[M+Na-2H]- 416.05911 187.6
[M]+ 395.08389 199.5
[M]- 395.08499 199.5
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.