CID 39609

Morazone

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC1C(OCCN1CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19/h4-13,18,22H,14-16H2,1-3H3
InChIKey
OOGNFQMTGRZRAB-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3134
Patents

377.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 195.2
[M+Na]+ 400.19955 203.1
[M-H]- 376.20305 204.8
[M+NH4]+ 395.24415 203.3
[M+K]+ 416.17349 197.4
[M+H-H2O]+ 360.20759 183.3
[M+HCOO]- 422.20853 211.0
[M+CH3COO]- 436.22418 204.4
[M+Na-2H]- 398.18500 192.8
[M]+ 377.20978 195.0
[M]- 377.21088 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe