CID 54550339

Dtxsid801343118

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C22H26N4O/c1-5-25(6-2)18-14-12-17(13-15-18)16-20-21(24(3)4)23-26(22(20)27)19-10-8-7-9-11-19/h7-16H,5-6H2,1-4H3
InChIKey
ZJLDYEFDEXBQBX-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

362.21066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 190.8
[M+Na]+ 385.19988 196.8
[M-H]- 361.20338 200.7
[M+NH4]+ 380.24448 203.1
[M+K]+ 401.17382 192.5
[M+H-H2O]+ 345.20792 179.6
[M+HCOO]- 407.20886 214.1
[M+CH3COO]- 421.22451 227.5
[M+Na-2H]- 383.18533 190.1
[M]+ 362.21011 192.9
[M]- 362.21121 192.9
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