CID 5897641

2,6-dimethyl-4-[(z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3h)-ylidene)methyl]phenyl acetate

Structural Information

Molecular Formula
C20H16N2O3S
SMILES
CC1=CC(=CC(=C1OC(=O)C)C)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C20H16N2O3S/c1-11-8-14(9-12(2)18(11)25-13(3)23)10-17-19(24)22-16-7-5-4-6-15(16)21-20(22)26-17/h4-10H,1-3H3/b17-10-
InChIKey
OWCYIPWHVMLBKK-YVLHZVERSA-N
Compound name
[2,6-dimethyl-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08817 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09545 187.1
[M+Na]+ 387.07739 201.7
[M-H]- 363.08089 196.0
[M+NH4]+ 382.12199 204.4
[M+K]+ 403.05133 195.4
[M+H-H2O]+ 347.08543 180.7
[M+HCOO]- 409.08637 206.1
[M+CH3COO]- 423.10202 200.0
[M+Na-2H]- 385.06284 186.2
[M]+ 364.08762 197.8
[M]- 364.08872 197.8
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.