CID 6410665

Cm 30488

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H20N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKey
VXNMQXYYYJPECK-UHFFFAOYSA-N
Compound name
4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

312.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 176.3
[M+Na]+ 335.14785 182.0
[M-H]- 311.15135 181.8
[M+NH4]+ 330.19245 184.4
[M+K]+ 351.12179 177.8
[M+H-H2O]+ 295.15589 164.3
[M+HCOO]- 357.15683 193.1
[M+CH3COO]- 371.17248 185.4
[M+Na-2H]- 333.13330 180.9
[M]+ 312.15808 174.0
[M]- 312.15918 174.0
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