CID 3173542

Eact

Structural Information

Molecular Formula
C22H24N2O5S
SMILES
COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H24N2O5S/c1-26-11-10-24(22-23-17(14-30-22)15-8-6-5-7-9-15)21(25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-9,12-14H,10-11H2,1-4H3
InChIKey
ZUXNHFFVQWADJL-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2114
Patents

428.1406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14788 202.2
[M+Na]+ 451.12982 208.6
[M-H]- 427.13332 212.5
[M+NH4]+ 446.17442 213.1
[M+K]+ 467.10376 206.1
[M+H-H2O]+ 411.13786 192.3
[M+HCOO]- 473.13880 221.3
[M+CH3COO]- 487.15445 230.2
[M+Na-2H]- 449.11527 199.9
[M]+ 428.14005 212.7
[M]- 428.14115 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe