CID 472935

Maybridge1_005035

Structural Information

Molecular Formula
C11H10N2O2S2
SMILES
CSC1=C2C(=C(S1)C(=O)N)CCC3=CON=C32
InChI
InChI=1S/C11H10N2O2S2/c1-16-11-7-6(9(17-11)10(12)14)3-2-5-4-15-13-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
InChIKey
QJPXINHDWQKKCZ-UHFFFAOYSA-N
Compound name
8-methylsulfanyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

266.01837 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02565 154.3
[M+Na]+ 289.00759 166.5
[M-H]- 265.01109 159.9
[M+NH4]+ 284.05219 175.2
[M+K]+ 304.98153 163.2
[M+H-H2O]+ 249.01563 150.9
[M+HCOO]- 311.01657 167.3
[M+CH3COO]- 325.03222 167.7
[M+Na-2H]- 286.99304 155.5
[M]+ 266.01782 160.5
[M]- 266.01892 160.5
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.