CID 96229

Diantipyrylmethane

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3
InChIKey
QATHNKNPUVVKHK-UHFFFAOYSA-N
Compound name
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

284
Patents

388.1899 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 194.4
[M+Na]+ 411.17912 207.6
[M-H]- 387.18262 204.9
[M+NH4]+ 406.22372 204.8
[M+K]+ 427.15306 200.0
[M+H-H2O]+ 371.18716 183.5
[M+HCOO]- 433.18810 216.3
[M+CH3COO]- 447.20375 205.9
[M+Na-2H]- 409.16457 191.2
[M]+ 388.18935 200.8
[M]- 388.19045 200.8
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.