CID 6160597

617696-90-9

Structural Information

Molecular Formula
C21H20N2O3S
SMILES
CC(C)COC1=C(C=C(C=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)OC
InChI
InChI=1S/C21H20N2O3S/c1-13(2)12-26-17-9-8-14(10-18(17)25-3)11-19-20(24)23-16-7-5-4-6-15(16)22-21(23)27-19/h4-11,13H,12H2,1-3H3/b19-11-
InChIKey
SOZGPVZLHJVJFL-ODLFYWEKSA-N
Compound name
(2Z)-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11948 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12676 189.9
[M+Na]+ 403.10870 205.3
[M+NH4]+ 398.15330 197.7
[M+K]+ 419.08264 198.6
[M-H]- 379.11220 193.5
[M+Na-2H]- 401.09415 195.8
[M]+ 380.11893 193.7
[M]- 380.12003 193.7
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.