CID 6448046

2-((4-methylphenyl)imino)-5-(phenylmethylene)-3-(1-piperidinylmethyl)-4-thiazolidinone

Structural Information

Molecular Formula
C23H25N3OS
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=CC=C3)/S2)CN4CCCCC4
InChI
InChI=1S/C23H25N3OS/c1-18-10-12-20(13-11-18)24-23-26(17-25-14-6-3-7-15-25)22(27)21(28-23)16-19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3/b21-16+,24-23?
InChIKey
ZNYAHJPNSUUFNM-YSKMNUJESA-N
Compound name
(5E)-5-benzylidene-2-(4-methylphenyl)imino-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17184 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17912 196.3
[M+Na]+ 414.16106 201.3
[M-H]- 390.16456 206.5
[M+NH4]+ 409.20566 207.1
[M+K]+ 430.13500 193.8
[M+H-H2O]+ 374.16910 185.4
[M+HCOO]- 436.17004 209.9
[M+CH3COO]- 450.18569 204.5
[M+Na-2H]- 412.14651 192.2
[M]+ 391.17129 192.3
[M]- 391.17239 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.