CID 91278

25111-96-0

Structural Information

Molecular Formula
C19H19N3O
SMILES
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKey
YJCRUYAVDCDVCD-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.1528 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16008 174.0
[M+Na]+ 328.14202 188.5
[M+NH4]+ 323.18662 181.6
[M+K]+ 344.11596 182.3
[M-H]- 304.14552 179.8
[M+Na-2H]- 326.12747 183.2
[M]+ 305.15225 177.7
[M]- 305.15335 177.7
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.