CID 156599375

Hydrogen bis(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo)benzoato(2-))chromate(1-), compound with 2-ethylhexylamine (1:1)

Structural Information

Molecular Formula
C17H15N4O3
SMILES
CC1=[N+](NC(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N4O3/c1-11-15(16(22)20-21(11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24/h2-10,15H,1H3,(H-,20,22,23,24)/p+1
InChIKey
KVLDNCHEEQCDQI-UHFFFAOYSA-O
Compound name
2-[(3-methyl-5-oxo-2-phenyl-1,4-dihydropyrazol-2-ium-4-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1144 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12168 174.7
[M+Na]+ 346.10362 181.7
[M-H]- 322.10712 183.0
[M+NH4]+ 341.14822 186.5
[M+K]+ 362.07756 171.5
[M+H-H2O]+ 306.11166 167.3
[M+HCOO]- 368.11260 197.9
[M+CH3COO]- 382.12825 203.9
[M+Na-2H]- 344.08907 179.8
[M]+ 323.11385 172.8
[M]- 323.11495 172.8
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.