CID 216330

Chuangximycin sodium

Structural Information

Molecular Formula
C12H11NO3S
SMILES
CC1C(OC2=CC=CC3=C2C1=CN3)C(=O)OS
InChI
InChI=1S/C12H11NO3S/c1-6-7-5-13-8-3-2-4-9(10(7)8)15-11(6)12(14)16-17/h2-6,11,13,17H,1H3
InChIKey
UUWNRWZVSSYXER-UHFFFAOYSA-N
Compound name
sulfanyl 5-methyl-7-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 151.2
[M+Na]+ 272.03518 164.1
[M+NH4]+ 267.07978 160.2
[M+K]+ 288.00912 158.3
[M-H]- 248.03868 153.7
[M+Na-2H]- 270.02063 154.1
[M]+ 249.04541 154.2
[M]- 249.04651 154.2
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.