CID 10971729

(2e)-3-(3-chloro-4-hydroxy-phenyl)-n-[2-[(4-fluorophenyl)disulfanyl]ethyl]-2-hydroxyimino-propanamide

Structural Information

Molecular Formula
C17H16ClFN2O3S2
SMILES
C1=CC(=CC=C1F)SSCCNC(=O)/C(=N/O)/CC2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C17H16ClFN2O3S2/c18-14-9-11(1-6-16(14)22)10-15(21-24)17(23)20-7-8-25-26-13-4-2-12(19)3-5-13/h1-6,9,22,24H,7-8,10H2,(H,20,23)/b21-15+
InChIKey
DYZMKMLDLFFSEO-RCCKNPSSSA-N
Compound name
(2E)-3-(3-chloro-4-hydroxyphenyl)-N-[2-[(4-fluorophenyl)disulfanyl]ethyl]-2-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0275 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.03478 185.8
[M+Na]+ 437.01672 191.5
[M-H]- 413.02022 189.0
[M+NH4]+ 432.06132 196.3
[M+K]+ 452.99066 183.0
[M+H-H2O]+ 397.02476 178.1
[M+HCOO]- 459.02570 192.2
[M+CH3COO]- 473.04135 221.0
[M+Na-2H]- 435.00217 184.7
[M]+ 414.02695 189.4
[M]- 414.02805 189.4
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.