CID 11826529

(2e)-3-(3-bromophenyl)-n-[2-[(2,6-dimethylphenyl)disulfanyl]ethyl]-2-hydroxyimino-propanamide

Structural Information

Molecular Formula
C19H21BrN2O2S2
SMILES
CC1=C(C(=CC=C1)C)SSCCNC(=O)/C(=N/O)/CC2=CC(=CC=C2)Br
InChI
InChI=1S/C19H21BrN2O2S2/c1-13-5-3-6-14(2)18(13)26-25-10-9-21-19(23)17(22-24)12-15-7-4-8-16(20)11-15/h3-8,11,24H,9-10,12H2,1-2H3,(H,21,23)/b22-17+
InChIKey
ZQSHOIOBGMRDAD-OQKWZONESA-N
Compound name
(2E)-3-(3-bromophenyl)-N-[2-[(2,6-dimethylphenyl)disulfanyl]ethyl]-2-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

452.02277 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.03005 179.1
[M+Na]+ 475.01199 187.3
[M-H]- 451.01549 186.8
[M+NH4]+ 470.05659 192.2
[M+K]+ 490.98593 171.8
[M+H-H2O]+ 435.02003 176.3
[M+HCOO]- 497.02097 189.6
[M+CH3COO]- 511.03662 227.9
[M+Na-2H]- 472.99744 180.5
[M]+ 452.02222 200.6
[M]- 452.02332 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.