CID 213534

26638-56-2

Structural Information

Molecular Formula
C14H13NO3S
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)O
InChI
InChI=1S/C14H13NO3S/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)19(15,17)18/h2-9,14,16H,1H3
InChIKey
UOFSLQBECAIORT-UHFFFAOYSA-N
Compound name
6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.0616 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06888 155.7
[M+Na]+ 298.05082 168.2
[M+NH4]+ 293.09542 164.9
[M+K]+ 314.02476 159.5
[M-H]- 274.05432 157.7
[M+Na-2H]- 296.03627 162.5
[M]+ 275.06105 158.8
[M]- 275.06215 158.8
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

patents stripe