CID 6448048

3-((dimethylamino)methyl)-2-((4-methylphenyl)imino)-5-(phenylmethylene)-4-thiazolidinone

Structural Information

Molecular Formula
C20H21N3OS
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=CC=C3)/S2)CN(C)C
InChI
InChI=1S/C20H21N3OS/c1-15-9-11-17(12-10-15)21-20-23(14-22(2)3)19(24)18(25-20)13-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3/b18-13+,21-20?
InChIKey
VCVRKCFQQTVAAM-ORZNGPHRSA-N
Compound name
(5E)-5-benzylidene-3-[(dimethylamino)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14053 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14781 185.3
[M+Na]+ 374.12975 192.5
[M-H]- 350.13325 196.5
[M+NH4]+ 369.17435 200.2
[M+K]+ 390.10369 187.0
[M+H-H2O]+ 334.13779 175.9
[M+HCOO]- 396.13873 205.4
[M+CH3COO]- 410.15438 221.2
[M+Na-2H]- 372.11520 183.4
[M]+ 351.13998 187.2
[M]- 351.14108 187.2
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.