CID 9570611

Brn 4941784

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
COC1=C(C=C(C=C1)CCN\2C(=O)CS/C2=N\N=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C20H21N3O3S/c1-25-17-9-8-15(12-18(17)26-2)10-11-23-19(24)14-27-20(23)22-21-13-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3/b21-13-,22-20-
InChIKey
LMDQHECIIBSFAA-LZNHWOLGSA-N
Compound name
(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.13037 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 191.1
[M+Na]+ 406.11959 198.0
[M-H]- 382.12309 202.1
[M+NH4]+ 401.16419 204.4
[M+K]+ 422.09353 193.2
[M+H-H2O]+ 366.12763 181.1
[M+HCOO]- 428.12857 212.6
[M+CH3COO]- 442.14422 224.6
[M+Na-2H]- 404.10504 190.6
[M]+ 383.12982 196.2
[M]- 383.13092 196.2
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.