CID 5931398

83443-84-9

Structural Information

Molecular Formula
C14H10N2O3S
SMILES
COC(=O)/C=C/C1=CC(=O)N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C14H10N2O3S/c1-19-13(18)7-6-9-8-12(17)16-11-5-3-2-4-10(11)15-14(16)20-9/h2-8H,1H3/b7-6+
InChIKey
ANJVOVCAZIXIPA-VOTSOKGWSA-N
Compound name
methyl (E)-3-(4-oxo-[1,3]thiazino[3,2-a]benzimidazol-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0412 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04848 161.7
[M+Na]+ 309.03042 174.2
[M-H]- 285.03392 165.9
[M+NH4]+ 304.07502 179.8
[M+K]+ 325.00436 169.2
[M+H-H2O]+ 269.03846 155.1
[M+HCOO]- 331.03940 179.1
[M+CH3COO]- 345.05505 174.6
[M+Na-2H]- 307.01587 165.8
[M]+ 286.04065 169.3
[M]- 286.04175 169.3
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.