CID 6439333

Ly 221068

Structural Information

Molecular Formula
C20H30N2O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(CS2)N(C)C
InChI
InChI=1S/C20H30N2O2S/c1-19(2,3)14-9-13(10-15(17(14)23)20(4,5)6)11-16-18(24)22(12-25-16)21(7)8/h9-11,23H,12H2,1-8H3/b16-11-
InChIKey
DNXBQWAKVPAADQ-WJDWOHSUSA-N
Compound name
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(dimethylamino)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

362.2028 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21008 189.4
[M+Na]+ 385.19202 196.0
[M-H]- 361.19552 195.2
[M+NH4]+ 380.23662 203.9
[M+K]+ 401.16596 192.1
[M+H-H2O]+ 345.20006 183.3
[M+HCOO]- 407.20100 200.9
[M+CH3COO]- 421.21665 219.8
[M+Na-2H]- 383.17747 185.9
[M]+ 362.20225 192.4
[M]- 362.20335 192.4
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

patents stripe