CID 1824188

442665-12-5

Structural Information

Molecular Formula
C24H26N2O3S
SMILES
CCCCCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)OC
InChI
InChI=1S/C24H26N2O3S/c1-3-4-5-6-9-14-29-20-13-12-17(15-21(20)28-2)16-22-23(27)26-19-11-8-7-10-18(19)25-24(26)30-22/h7-8,10-13,15-16H,3-6,9,14H2,1-2H3/b22-16-
InChIKey
BADSKUXVHRFERQ-JWGURIENSA-N
Compound name
(2Z)-2-[(4-heptoxy-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

422.1664 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17368 203.7
[M+Na]+ 445.15562 218.8
[M+NH4]+ 440.20022 211.1
[M+K]+ 461.12956 210.6
[M-H]- 421.15912 207.3
[M+Na-2H]- 443.14107 209.1
[M]+ 422.16585 207.5
[M]- 422.16695 207.5
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.