CID 5167286

18630-79-0

Structural Information

Molecular Formula
C18H24N4O3
SMILES
CC1=NN(C(=O)C1(N2CCOCC2)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C18H24N4O3/c1-15-18(20-7-11-24-12-8-20,21-9-13-25-14-10-21)17(23)22(19-15)16-5-3-2-4-6-16/h2-6H,7-14H2,1H3
InChIKey
XLPGEMTWLSUNBL-UHFFFAOYSA-N
Compound name
5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

344.18484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 183.4
[M+Na]+ 367.17406 187.6
[M-H]- 343.17756 190.5
[M+NH4]+ 362.21866 190.7
[M+K]+ 383.14800 185.6
[M+H-H2O]+ 327.18210 170.8
[M+HCOO]- 389.18304 193.0
[M+CH3COO]- 403.19869 191.1
[M+Na-2H]- 365.15951 182.9
[M]+ 344.18429 177.4
[M]- 344.18539 177.4
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