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 204.7
[M+Na]+ 445.15562 216.6
[M-H]- 421.15912 212.2
[M+NH4]+ 440.20022 219.4
[M+K]+ 461.12956 209.5
[M+H-H2O]+ 405.16366 196.8
[M+HCOO]- 467.16460 223.2
[M+CH3COO]- 481.18025 215.5
[M+Na-2H]- 443.14107 203.4
[M]+ 422.16585 217.4
[M]- 422.16695 217.4
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.