CID 3038062

Brn 0617809

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC\1=NN(C(=O)/C1=C\N2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O2/c1-12-14(11-17-7-9-20-10-8-17)15(19)18(16-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3/b14-11-
InChIKey
ZITDFRFPRRUJBQ-KAMYIIQDSA-N
Compound name
(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 164.4
[M+Na]+ 294.12130 177.4
[M+NH4]+ 289.16590 171.2
[M+K]+ 310.09524 172.6
[M-H]- 270.12480 169.0
[M+Na-2H]- 292.10675 170.7
[M]+ 271.13153 167.3
[M]- 271.13263 167.3
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.