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

28
Patents

312.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.165906 176.3
[M+Na]+ 335.147848 182.0
[M-H]- 311.151354 181.8
[M+NH4]+ 330.192453 184.4
[M+K]+ 351.121788 177.8
[M+H-H2O]+ 295.155890 164.3
[M+HCOO]- 357.156831 193.1
[M+CH3COO]- 371.172481 185.4
[M+Na-2H]- 333.133296 180.9
[M]+ 312.15808142 174.0
[M]- 312.15917858 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