CID 1563271

329223-93-0

Structural Information

Molecular Formula
C23H24N2O3S
SMILES
CCCCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)OC
InChI
InChI=1S/C23H24N2O3S/c1-3-4-5-8-13-28-19-12-11-16(14-20(19)27-2)15-21-22(26)25-18-10-7-6-9-17(18)24-23(25)29-21/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3/b21-15-
InChIKey
TUYKXDPOCJJQJE-QNGOZBTKSA-N
Compound name
(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.15076 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15804 200.3
[M+Na]+ 431.13998 212.7
[M-H]- 407.14348 208.1
[M+NH4]+ 426.18458 215.6
[M+K]+ 447.11392 205.8
[M+H-H2O]+ 391.14802 192.7
[M+HCOO]- 453.14896 219.1
[M+CH3COO]- 467.16461 211.6
[M+Na-2H]- 429.12543 199.5
[M]+ 408.15021 212.7
[M]- 408.15131 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.