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 191.8
[M+Na]+ 403.10870 204.7
[M-H]- 379.11220 200.1
[M+NH4]+ 398.15330 208.2
[M+K]+ 419.08264 198.8
[M+H-H2O]+ 363.11674 184.8
[M+HCOO]- 425.11768 210.3
[M+CH3COO]- 439.13333 203.8
[M+Na-2H]- 401.09415 191.1
[M]+ 380.11893 203.1
[M]- 380.12003 203.1
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.