CID 242106

4-(4-(diethylamino)benzylideneamino)antipyrine

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]+ 363.21794 190.3
[M+Na]+ 385.19988 198.5
[M-H]- 361.20338 200.8
[M+NH4]+ 380.24448 203.0
[M+K]+ 401.17382 193.3
[M+H-H2O]+ 345.20792 179.0
[M+HCOO]- 407.20886 215.9
[M+CH3COO]- 421.22451 228.3
[M+Na-2H]- 383.18533 190.9
[M]+ 362.21011 194.9
[M]- 362.21121 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.