CID 3797510

93871-83-1

Structural Information

Molecular Formula
C18H19N5O
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2N(C)C)C3=CC=CC=C3
InChI
InChI=1S/C18H19N5O/c1-13-17(18(24)23(21-13)14-9-5-4-6-10-14)20-19-15-11-7-8-12-16(15)22(2)3/h4-12,17H,1-3H3
InChIKey
UJMBLKSACSFSIE-UHFFFAOYSA-N
Compound name
4-[[2-(dimethylamino)phenyl]diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15897 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.166246 175.9
[M+Na]+ 344.148188 183.5
[M-H]- 320.151694 187.7
[M+NH4]+ 339.192793 190.2
[M+K]+ 360.122128 180.3
[M+H-H2O]+ 304.156230 164.5
[M+HCOO]- 366.157171 204.1
[M+CH3COO]- 380.172821 223.0
[M+Na-2H]- 342.133636 179.5
[M]+ 321.15842142 178.5
[M]- 321.15951858 178.5
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.