CID 202787

Ag 250

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=CC(=NN(C1=O)CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O2/c1-13-11-15(14-5-3-2-4-6-14)17-19(16(13)20)12-18-7-9-21-10-8-18/h2-6,11H,7-10,12H2,1H3
InChIKey
GMZAUXSROBXMDR-UHFFFAOYSA-N
Compound name
4-methyl-2-(morpholin-4-ylmethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

285.14774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 168.5
[M+Na]+ 308.136958 175.5
[M-H]- 284.140464 174.1
[M+NH4]+ 303.181563 178.1
[M+K]+ 324.110898 171.7
[M+H-H2O]+ 268.145000 157.0
[M+HCOO]- 330.145941 184.6
[M+CH3COO]- 344.161591 178.5
[M+Na-2H]- 306.122406 172.9
[M]+ 285.14719142 166.4
[M]- 285.14828858 166.4
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