CID 24843207

97290-46-5

Structural Information

Molecular Formula
C19H27Br2N3O2S
SMILES
CC(=O)N[C@@H](CS)C(=O)NC1=C(C=C(C=C1Br)Br)CN(C)C2CCCCC2
InChI
InChI=1S/C19H27Br2N3O2S/c1-12(25)22-17(11-27)19(26)23-18-13(8-14(20)9-16(18)21)10-24(2)15-6-4-3-5-7-15/h8-9,15,17,27H,3-7,10-11H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKey
YJGWIACOZHBSAS-KRWDZBQOSA-N
Compound name
(2R)-2-acetamido-N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.01904 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.02632 171.1
[M+Na]+ 542.00826 162.7
[M+NH4]+ 537.05286 171.7
[M+K]+ 557.98220 169.5
[M-H]- 518.01176 172.8
[M+Na-2H]- 539.99371 171.6
[M]+ 519.01849 169.3
[M]- 519.01959 169.3
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.