CID 490055

4h-1,3-oxazino[5,6-c]quinolin-4-one, 2,3-dihydro-9-iodo-3,5-dimethyl-2-thioxo-

Structural Information

Molecular Formula
C13H9IN2O2S
SMILES
CC1=C2C(=C3C=C(C=CC3=N1)I)OC(=S)N(C2=O)C
InChI
InChI=1S/C13H9IN2O2S/c1-6-10-11(18-13(19)16(2)12(10)17)8-5-7(14)3-4-9(8)15-6/h3-5H,1-2H3
InChIKey
CGBZANDSPDVCGO-UHFFFAOYSA-N
Compound name
9-iodo-3,5-dimethyl-2-sulfanylidene-[1,3]oxazino[5,6-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.94296 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.95024 157.6
[M+Na]+ 406.93218 165.6
[M-H]- 382.93568 155.7
[M+NH4]+ 401.97678 169.0
[M+K]+ 422.90612 166.7
[M+H-H2O]+ 366.94022 146.9
[M+HCOO]- 428.94116 169.2
[M+CH3COO]- 442.95681 167.2
[M+Na-2H]- 404.91763 153.2
[M]+ 383.94241 162.5
[M]- 383.94351 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.