CID 136180081

Chromate(1-), bis(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo)-3-hydroxy-n,n-dimethylbenzenesulfonamidato(2-))-, lithium

Structural Information

Molecular Formula
C18H19N5O4S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)N(C)C)O)C3=CC=CC=C3
InChI
InChI=1S/C18H19N5O4S/c1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3/h4-11,17,24H,1-3H3
InChIKey
KZUSMFHZFCASKH-UHFFFAOYSA-N
Compound name
3-hydroxy-N,N-dimethyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.11578 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12306 193.3
[M+Na]+ 424.10500 201.6
[M-H]- 400.10850 204.4
[M+NH4]+ 419.14960 204.2
[M+K]+ 440.07894 198.1
[M+H-H2O]+ 384.11304 183.5
[M+HCOO]- 446.11398 214.1
[M+CH3COO]- 460.12963 231.1
[M+Na-2H]- 422.09045 195.5
[M]+ 401.11523 199.0
[M]- 401.11633 199.0
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.