CID 3011159

3h,5h,13h-naphth[2,3-f]oxazolo[4,3-c][1,4]thiazepine-5,13-dione, 1,13a-dihydro-

Structural Information

Molecular Formula
C15H11NO3S
SMILES
C1C2C(=O)SC3=CC4=CC=CC=C4C=C3C(=O)N2CO1
InChI
InChI=1S/C15H11NO3S/c17-14-11-5-9-3-1-2-4-10(9)6-13(11)20-15(18)12-7-19-8-16(12)14/h1-6,12H,7-8H2
InChIKey
YNAQYQXOHCRQPW-UHFFFAOYSA-N
Compound name
5-oxa-9-thia-3-azatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),10,12,14,16-pentaene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

285.04596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.053236 160.9
[M+Na]+ 308.035178 169.7
[M-H]- 284.038684 168.0
[M+NH4]+ 303.079783 178.7
[M+K]+ 324.009118 169.4
[M+H-H2O]+ 268.043220 156.5
[M+HCOO]- 330.044161 173.2
[M+CH3COO]- 344.059811 172.6
[M+Na-2H]- 306.020626 164.3
[M]+ 285.04541142 160.7
[M]- 285.04650858 160.7
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

patents stripe