CID 474493

{2-[4-(2-{aza[4-(2-methylpropoxy)phenyl]methylene}-4-methyl(1,3-thiazolin-3-yl))phenoxy]ethyl}diethylamine

Structural Information

Molecular Formula
C26H35N3O2S
SMILES
CCN(CC)CCOC1=CC=C(C=C1)N2C(=CSC2=NC3=CC=C(C=C3)OCC(C)C)C
InChI
InChI=1S/C26H35N3O2S/c1-6-28(7-2)16-17-30-24-14-10-23(11-15-24)29-21(5)19-32-26(29)27-22-8-12-25(13-9-22)31-18-20(3)4/h8-15,19-20H,6-7,16-18H2,1-5H3
InChIKey
NNRUGEWDAJNPRD-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[4-[4-methyl-2-[4-(2-methylpropoxy)phenyl]imino-1,3-thiazol-3-yl]phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.245 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.25228 214.8
[M+Na]+ 476.23422 219.7
[M-H]- 452.23772 225.5
[M+NH4]+ 471.27882 225.4
[M+K]+ 492.20816 215.0
[M+H-H2O]+ 436.24226 203.8
[M+HCOO]- 498.24320 234.4
[M+CH3COO]- 512.25885 243.0
[M+Na-2H]- 474.21967 211.0
[M]+ 453.24445 223.6
[M]- 453.24555 223.6
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.