CID 212522

Brn 0696759

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CC1=CC=C(C=C1)C(=O)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H19N3O2/c1-14-9-11-16(12-10-14)18(24)13-21-19-15(2)22(3)23(20(19)25)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKey
DKHWRGYJZMPPSE-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[[2-(4-methylphenyl)-2-oxoethylidene]amino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.2
[M+Na]+ 356.13696 189.0
[M-H]- 332.14046 188.9
[M+NH4]+ 351.18156 192.7
[M+K]+ 372.11090 183.5
[M+H-H2O]+ 316.14500 169.1
[M+HCOO]- 378.14594 203.5
[M+CH3COO]- 392.16159 216.3
[M+Na-2H]- 354.12241 180.0
[M]+ 333.14719 182.7
[M]- 333.14829 182.7
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.