CID 174326

Chromate(1-), bis(2,4-dihydro-4-((2-hydroxyphenyl)azo)-5-methyl-2-phenyl-3h-pyrazol-3-onato(2-))-, sodium

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=CC=C3O
InChI
InChI=1S/C16H14N4O2/c1-11-15(18-17-13-9-5-6-10-14(13)21)16(22)20(19-11)12-7-3-2-4-8-12/h2-10,19,21H,1H3
InChIKey
QMLOZOJEJRNFAL-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

19
Patents

294.11166 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 165.6
[M+Na]+ 317.10088 174.9
[M-H]- 293.10438 174.1
[M+NH4]+ 312.14548 179.5
[M+K]+ 333.07482 169.5
[M+H-H2O]+ 277.10892 155.7
[M+HCOO]- 339.10986 191.7
[M+CH3COO]- 353.12551 177.8
[M+Na-2H]- 315.08633 170.7
[M]+ 294.11111 166.2
[M]- 294.11221 166.2
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