CID 754050

88828-47-1

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O2/c1-15-19(21-18(24)14-13-16-9-5-3-6-10-16)20(25)23(22(15)2)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,24)/b14-13+
InChIKey
YRMVEYWFVDONFK-BUHFOSPRSA-N
Compound name
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.8
[M+Na]+ 356.13696 188.3
[M-H]- 332.14046 187.8
[M+NH4]+ 351.18156 192.3
[M+K]+ 372.11090 182.0
[M+H-H2O]+ 316.14500 169.7
[M+HCOO]- 378.14594 202.6
[M+CH3COO]- 392.16159 212.0
[M+Na-2H]- 354.12241 180.9
[M]+ 333.14719 181.0
[M]- 333.14829 181.0
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

No patent data available for this compound.