CID 6447735

N-(5-butylidene-4-oxo-2-phenyl-3-thiazolidinyl)-2-hydroxybenzamide

Structural Information

Molecular Formula
C20H20N2O3S
SMILES
CCC/C=C/1\C(=O)N(C(S1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C20H20N2O3S/c1-2-3-13-17-19(25)22(20(26-17)14-9-5-4-6-10-14)21-18(24)15-11-7-8-12-16(15)23/h4-13,20,23H,2-3H2,1H3,(H,21,24)/b17-13+
InChIKey
LQODYTCJKKSKTM-GHRIWEEISA-N
Compound name
N-[(5E)-5-butylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12676 187.6
[M+Na]+ 391.10870 193.8
[M-H]- 367.11220 194.8
[M+NH4]+ 386.15330 199.9
[M+K]+ 407.08264 187.2
[M+H-H2O]+ 351.11674 179.3
[M+HCOO]- 413.11768 202.7
[M+CH3COO]- 427.13333 213.3
[M+Na-2H]- 389.09415 184.4
[M]+ 368.11893 187.6
[M]- 368.12003 187.6
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.