CID 206749

Sep 364

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC1=CC(=NN(C1=O)C(C)CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O2/c1-14-12-17(16-6-4-3-5-7-16)19-21(18(14)22)15(2)13-20-8-10-23-11-9-20/h3-7,12,15H,8-11,13H2,1-2H3
InChIKey
JDBIPJXFZUXERV-UHFFFAOYSA-N
Compound name
4-methyl-2-(1-morpholin-4-ylpropan-2-yl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 177.1
[M+Na]+ 336.16824 182.9
[M-H]- 312.17174 182.5
[M+NH4]+ 331.21284 185.5
[M+K]+ 352.14218 179.1
[M+H-H2O]+ 296.17628 165.4
[M+HCOO]- 358.17722 191.5
[M+CH3COO]- 372.19287 186.1
[M+Na-2H]- 334.15369 179.4
[M]+ 313.17847 175.1
[M]- 313.17957 175.1
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.