CID 20836369

104123-95-7

Structural Information

Molecular Formula
C23H23N3O2S
SMILES
C1COCCN1CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=NC4=CC=CC=C4
InChI
InChI=1S/C23H23N3O2S/c27-22-21(13-7-10-19-8-3-1-4-9-19)29-23(24-20-11-5-2-6-12-20)26(22)18-25-14-16-28-17-15-25/h1-13H,14-18H2/b10-7+,21-13+,24-23?
InChIKey
RXLGUMNRTMKLOE-MWPAKKNCSA-N
Compound name
(5E)-3-(morpholin-4-ylmethyl)-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

405.1511 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15838 199.1
[M+Na]+ 428.14032 203.7
[M-H]- 404.14382 209.6
[M+NH4]+ 423.18492 207.7
[M+K]+ 444.11426 197.2
[M+H-H2O]+ 388.14836 188.2
[M+HCOO]- 450.14930 212.3
[M+CH3COO]- 464.16495 207.0
[M+Na-2H]- 426.12577 196.2
[M]+ 405.15055 195.7
[M]- 405.15165 195.7
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.