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

209
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

literature stripe

Patent stripe

patents stripe