CID 135499647

4-[(2z)-2-(4-bromophenyl)imino-4-oxo-thiazolidin-5-yl]butanoic acid

Structural Information

Molecular Formula
C13H13BrN2O3S
SMILES
C1=CC(=CC=C1N=C2NC(=O)C(S2)CCCC(=O)O)Br
InChI
InChI=1S/C13H13BrN2O3S/c14-8-4-6-9(7-5-8)15-13-16-12(19)10(20-13)2-1-3-11(17)18/h4-7,10H,1-3H2,(H,17,18)(H,15,16,19)
InChIKey
UTEYGIFRNYGBAJ-UHFFFAOYSA-N
Compound name
4-[2-(4-bromophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.98303 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99031 165.4
[M+Na]+ 378.97225 175.5
[M-H]- 354.97575 172.0
[M+NH4]+ 374.01685 182.2
[M+K]+ 394.94619 162.1
[M+H-H2O]+ 338.98029 164.4
[M+HCOO]- 400.98123 179.3
[M+CH3COO]- 414.99688 204.7
[M+Na-2H]- 376.95770 165.9
[M]+ 355.98248 183.7
[M]- 355.98358 183.7
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.