CID 3091332

Dtxsid201038824

Structural Information

Molecular Formula
C19H21F2N3O4S
SMILES
CCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)C(F)F
InChI
InChI=1S/C19H21F2N3O4S/c1-3-24(12-13-28-14(2)25)17-8-4-15(5-9-17)22-23-16-6-10-18(11-7-16)29(26,27)19(20)21/h4-11,19H,3,12-13H2,1-2H3
InChIKey
IURYNOILPJJRFU-UHFFFAOYSA-N
Compound name
2-[4-[[4-(difluoromethylsulfonyl)phenyl]diazenyl]-N-ethylanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.12207 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12935 197.2
[M+Na]+ 448.11129 202.0
[M-H]- 424.11479 204.5
[M+NH4]+ 443.15589 207.9
[M+K]+ 464.08523 199.6
[M+H-H2O]+ 408.11933 185.2
[M+HCOO]- 470.12027 216.6
[M+CH3COO]- 484.13592 237.2
[M+Na-2H]- 446.09674 198.2
[M]+ 425.12152 202.3
[M]- 425.12262 202.3
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.