CID 624132

3h-pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-4-(phenylazo)-

Structural Information

Molecular Formula
C16H14N4O
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,19H,1H3
InChIKey
XOCUHWXGSSSCTJ-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

969
Patents

278.11676 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 162.1
[M+Na]+ 301.10598 171.1
[M-H]- 277.10948 171.4
[M+NH4]+ 296.15058 177.1
[M+K]+ 317.07992 165.9
[M+H-H2O]+ 261.11402 151.8
[M+HCOO]- 323.11496 189.4
[M+CH3COO]- 337.13061 174.8
[M+Na-2H]- 299.09143 168.2
[M]+ 278.11621 162.7
[M]- 278.11731 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe