CID 6433838

(e)-o-sulfamoylcinnamic acid isopropyl ester

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CC(C)OC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C12H15NO4S/c1-9(2)17-12(14)8-7-10-5-3-4-6-11(10)18(13,15)16/h3-9H,1-2H3,(H2,13,15,16)/b8-7+
InChIKey
KYEJWXHRPBOCNJ-BQYQJAHWSA-N
Compound name
propan-2-yl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07217 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 159.1
[M+Na]+ 292.06139 165.8
[M-H]- 268.06489 162.2
[M+NH4]+ 287.10599 175.2
[M+K]+ 308.03533 162.7
[M+H-H2O]+ 252.06943 152.7
[M+HCOO]- 314.07037 175.7
[M+CH3COO]- 328.08602 195.1
[M+Na-2H]- 290.04684 160.0
[M]+ 269.07162 161.8
[M]- 269.07272 161.8
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

No patent data available for this compound.