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 173.3
[M+Na]+ 328.14202 181.5
[M-H]- 304.14552 182.3
[M+NH4]+ 323.18662 187.6
[M+K]+ 344.11596 176.3
[M+H-H2O]+ 288.15006 163.1
[M+HCOO]- 350.15100 196.1
[M+CH3COO]- 364.16665 211.0
[M+Na-2H]- 326.12747 174.2
[M]+ 305.15225 173.9
[M]- 305.15335 173.9
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

patents stripe