CID 6448049

110839-06-0

Structural Information

Molecular Formula
C26H33N3OS
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=CC=C3)/S2)CN(CC(C)C)CC(C)C
InChI
InChI=1S/C26H33N3OS/c1-19(2)16-28(17-20(3)4)18-29-25(30)24(15-22-9-7-6-8-10-22)31-26(29)27-23-13-11-21(5)12-14-23/h6-15,19-20H,16-18H2,1-5H3/b24-15+,27-26?
InChIKey
ODQLJEGATKNNCO-APZKEAJMSA-N
Compound name
(5E)-5-benzylidene-3-[[bis(2-methylpropyl)amino]methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.23444 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.24172 211.1
[M+Na]+ 458.22366 214.7
[M-H]- 434.22716 221.2
[M+NH4]+ 453.26826 222.3
[M+K]+ 474.19760 209.1
[M+H-H2O]+ 418.23170 200.9
[M+HCOO]- 480.23264 227.0
[M+CH3COO]- 494.24829 240.4
[M+Na-2H]- 456.20911 204.4
[M]+ 435.23389 213.9
[M]- 435.23499 213.9
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.