CID 242106

Refchem:513756

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCN(CC)C1=CC=C(C=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C22H26N4O/c1-5-25(6-2)19-14-12-18(13-15-19)16-23-21-17(3)24(4)26(22(21)27)20-10-8-7-9-11-20/h7-16H,5-6H2,1-4H3
InChIKey
FFSZRVIRTAZRBG-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.21066 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.217936 190.3
[M+Na]+ 385.199878 198.5
[M-H]- 361.203384 200.8
[M+NH4]+ 380.244483 203.0
[M+K]+ 401.173818 193.3
[M+H-H2O]+ 345.207920 179.0
[M+HCOO]- 407.208861 215.9
[M+CH3COO]- 421.224511 228.3
[M+Na-2H]- 383.185326 190.9
[M]+ 362.21011142 194.9
[M]- 362.21120858 194.9
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

No patent data available for this compound.