CID 3038061

15900-09-1

Structural Information

Molecular Formula
C15H19N3O
SMILES
CCCC\1=NN(C(=O)/C1=C/N(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H19N3O/c1-4-8-14-13(11-17(2)3)15(19)18(16-14)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3/b13-11+
InChIKey
CUWKTMCUQYDTED-ACCUITESSA-N
Compound name
(4E)-4-(dimethylaminomethylidene)-2-phenyl-5-propylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 161.9
[M+Na]+ 280.14202 173.8
[M+NH4]+ 275.18662 168.9
[M+K]+ 296.11596 168.8
[M-H]- 256.14552 164.8
[M+Na-2H]- 278.12747 168.2
[M]+ 257.15225 164.2
[M]- 257.15335 164.2
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.