CID 91900719

1688677-89-5

Structural Information

Molecular Formula
C21H23BrN2O4S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)Br)C3=CC=CC=C3OCCCCCC(=O)NO
InChI
InChI=1S/C21H23BrN2O4S/c22-16-8-6-7-15(13-16)21-24(20(26)14-29-21)17-9-3-4-10-18(17)28-12-5-1-2-11-19(25)23-27/h3-4,6-10,13,21,27H,1-2,5,11-12,14H2,(H,23,25)
InChIKey
XRAVVAITOQNASO-UHFFFAOYSA-N
Compound name
6-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxyhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.05618 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06346 197.2
[M+Na]+ 501.04540 204.9
[M-H]- 477.04890 206.1
[M+NH4]+ 496.09000 208.9
[M+K]+ 517.01934 191.6
[M+H-H2O]+ 461.05344 194.8
[M+HCOO]- 523.05438 210.0
[M+CH3COO]- 537.07003 226.9
[M+Na-2H]- 499.03085 195.9
[M]+ 478.05563 218.0
[M]- 478.05673 218.0
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.