CID 120149

Coumarin 175

Structural Information

Molecular Formula
C11H11NO5S
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NCS(=O)(=O)O
InChI
InChI=1S/C11H11NO5S/c1-7-4-11(13)17-10-5-8(2-3-9(7)10)12-6-18(14,15)16/h2-5,12H,6H2,1H3,(H,14,15,16)
InChIKey
URKFUZQRENRKCZ-UHFFFAOYSA-N
Compound name
[(4-methyl-2-oxochromen-7-yl)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

269.0358 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04308 155.3
[M+Na]+ 292.02502 167.1
[M+NH4]+ 287.06962 161.8
[M+K]+ 307.99896 161.1
[M-H]- 268.02852 157.2
[M+Na-2H]- 290.01047 159.6
[M]+ 269.03525 157.9
[M]- 269.03635 157.9
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