CID 14179759

116091-63-5

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC(=O)CC1=CC(=C(C=C1)OC)S(=O)(=O)N
InChI
InChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14)
InChIKey
MQQJFLHZXQRKKJ-UHFFFAOYSA-N
Compound name
2-methoxy-5-(2-oxopropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

243.05653 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 150.3
[M+Na]+ 266.04575 158.5
[M-H]- 242.04925 153.9
[M+NH4]+ 261.09035 167.8
[M+K]+ 282.01969 156.0
[M+H-H2O]+ 226.05379 144.3
[M+HCOO]- 288.05473 168.2
[M+CH3COO]- 302.07038 191.7
[M+Na-2H]- 264.03120 152.6
[M]+ 243.05598 154.1
[M]- 243.05708 154.1
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