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]+ 364.201946 190.2
[M+Na]+ 386.183888 196.8
[M-H]- 362.187394 198.6
[M+NH4]+ 381.228493 202.1
[M+K]+ 402.157828 191.7
[M+H-H2O]+ 346.191930 179.2
[M+HCOO]- 408.192871 212.1
[M+CH3COO]- 422.208521 221.3
[M+Na-2H]- 384.169336 189.6
[M]+ 363.19412142 193.1
[M]- 363.19521858 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