CID 68021382

Dtxsid901335354

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)OCC
InChI
InChI=1S/C22H25N3O2/c1-4-24(5-2)18-14-12-17(13-15-18)16-20-21(27-6-3)23-25(22(20)26)19-10-8-7-9-11-19/h7-16H,4-6H2,1-3H3
InChIKey
AMTJSDBKPMMKKQ-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

363.19467 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.2
[M+Na]+ 386.18389 196.8
[M-H]- 362.18739 198.6
[M+NH4]+ 381.22849 202.1
[M+K]+ 402.15783 191.7
[M+H-H2O]+ 346.19193 179.2
[M+HCOO]- 408.19287 212.1
[M+CH3COO]- 422.20852 221.3
[M+Na-2H]- 384.16934 189.6
[M]+ 363.19412 193.1
[M]- 363.19522 193.1
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

patents stripe