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]+ 322.16625 175.9
[M+Na]+ 344.14819 183.5
[M-H]- 320.15169 187.7
[M+NH4]+ 339.19279 190.2
[M+K]+ 360.12213 180.3
[M+H-H2O]+ 304.15623 164.5
[M+HCOO]- 366.15717 204.1
[M+CH3COO]- 380.17282 223.0
[M+Na-2H]- 342.13364 179.5
[M]+ 321.15842 178.5
[M]- 321.15952 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.