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]+ 258.160076 161.0
[M+Na]+ 280.142018 168.7
[M-H]- 256.145524 166.6
[M+NH4]+ 275.186623 177.7
[M+K]+ 296.115958 165.3
[M+H-H2O]+ 240.150060 152.1
[M+HCOO]- 302.151001 183.9
[M+CH3COO]- 316.166651 202.0
[M+Na-2H]- 278.127466 162.5
[M]+ 257.15225142 162.5
[M]- 257.15334858 162.5
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.