CID 362542

Nsc626616

Structural Information

Molecular Formula
C19H18N4O
SMILES
CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)N=NC3=CC=CC=C3)C
InChI
InChI=1S/C19H18N4O/c1-13-9-11-16(12-10-13)19(24)23-15(3)18(14(2)22-23)21-20-17-7-5-4-6-8-17/h4-12H,1-3H3
InChIKey
KEEJDHOWSNGJIU-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-phenyldiazenylpyrazol-1-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14807 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 176.3
[M+Na]+ 341.13729 185.1
[M-H]- 317.14079 187.1
[M+NH4]+ 336.18189 190.6
[M+K]+ 357.11123 180.6
[M+H-H2O]+ 301.14533 165.5
[M+HCOO]- 363.14627 203.1
[M+CH3COO]- 377.16192 217.5
[M+Na-2H]- 339.12274 179.3
[M]+ 318.14752 179.5
[M]- 318.14862 179.5
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.