CID 20836363

104123-89-9

Structural Information

Molecular Formula
C21H21N3OS
SMILES
CN(C)CN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=NC3=CC=CC=C3
InChI
InChI=1S/C21H21N3OS/c1-23(2)16-24-20(25)19(15-9-12-17-10-5-3-6-11-17)26-21(24)22-18-13-7-4-8-14-18/h3-15H,16H2,1-2H3/b12-9+,19-15+,22-21?
InChIKey
DVJSNCOJTQVDNK-ZTUQKWINSA-N
Compound name
(5E)-3-[(dimethylamino)methyl]-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14053 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14781 188.5
[M+Na]+ 386.12975 200.2
[M+NH4]+ 381.17435 196.1
[M+K]+ 402.10369 191.1
[M-H]- 362.13325 195.1
[M+Na-2H]- 384.11520 196.6
[M]+ 363.13998 192.3
[M]- 363.14108 192.3
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.