CID 1909366

1447968-75-3

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CCCCOC1=CC=C(C=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C22H25N3O2/c1-4-5-15-27-20-13-11-18(12-14-20)16-23-21-17(2)24(3)25(22(21)26)19-9-7-6-8-10-19/h6-14,16H,4-5,15H2,1-3H3
InChIKey
ADDATTWDADRDKT-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 189.4
[M+Na]+ 386.183888 198.2
[M-H]- 362.187394 198.5
[M+NH4]+ 381.228493 201.7
[M+K]+ 402.157828 192.4
[M+H-H2O]+ 346.191930 178.5
[M+HCOO]- 408.192871 213.7
[M+CH3COO]- 422.208521 222.0
[M+Na-2H]- 384.169336 190.1
[M]+ 363.19412142 194.8
[M]- 363.19521858 194.8
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.