CID 49766997

(2e)-n-[2-[(4-aminophenyl)disulfanyl]ethyl]-3-(3,5-difluorophenyl)-2-hydroxyimino-propanamide

Structural Information

Molecular Formula
C17H17F2N3O2S2
SMILES
C1=CC(=CC=C1N)SSCCNC(=O)/C(=N/O)/CC2=CC(=CC(=C2)F)F
InChI
InChI=1S/C17H17F2N3O2S2/c18-12-7-11(8-13(19)10-12)9-16(22-24)17(23)21-5-6-25-26-15-3-1-14(20)2-4-15/h1-4,7-8,10,24H,5-6,9,20H2,(H,21,23)/b22-16+
InChIKey
WVGSUVXFPAHNEJ-CJLVFECKSA-N
Compound name
(2E)-N-[2-[(4-aminophenyl)disulfanyl]ethyl]-3-(3,5-difluorophenyl)-2-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.07303 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08031 183.9
[M+Na]+ 420.06225 188.8
[M-H]- 396.06575 186.0
[M+NH4]+ 415.10685 194.1
[M+K]+ 436.03619 180.9
[M+H-H2O]+ 380.07029 173.3
[M+HCOO]- 442.07123 194.9
[M+CH3COO]- 456.08688 224.9
[M+Na-2H]- 418.04770 182.3
[M]+ 397.07248 182.9
[M]- 397.07358 182.9
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.