CID 51032

70318-54-6

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC=C3)OC
InChI
InChI=1S/C19H19N3O2/c1-14-18(20-13-15-8-7-11-17(12-15)24-3)19(23)22(21(14)2)16-9-5-4-6-10-16/h4-13H,1-3H3
InChIKey
QLTKTTIKQFRHQF-UHFFFAOYSA-N
Compound name
4-[(3-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.0
[M+Na]+ 344.13696 192.6
[M+NH4]+ 339.18156 184.1
[M+K]+ 360.11090 186.1
[M-H]- 320.14046 182.7
[M+Na-2H]- 342.12241 186.6
[M]+ 321.14719 180.9
[M]- 321.14829 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.