CID 121232775

Methenamid esa

Structural Information

Molecular Formula
C11H17NO5S2
SMILES
CC1=CSC=C1N(C(C)COC)C(=O)CS(=O)(=O)O
InChI
InChI=1S/C11H17NO5S2/c1-8-5-18-6-10(8)12(9(2)4-17-3)11(13)7-19(14,15)16/h5-6,9H,4,7H2,1-3H3,(H,14,15,16)
InChIKey
UZRVVVZNSBSGHK-UHFFFAOYSA-N
Compound name
2-[1-methoxypropan-2-yl-(4-methylthiophen-3-yl)amino]-2-oxoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0548 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06208 169.4
[M+Na]+ 330.04402 175.0
[M-H]- 306.04752 172.5
[M+NH4]+ 325.08862 185.8
[M+K]+ 346.01796 173.0
[M+H-H2O]+ 290.05206 163.4
[M+HCOO]- 352.05300 180.6
[M+CH3COO]- 366.06865 201.6
[M+Na-2H]- 328.02947 167.6
[M]+ 307.05425 175.8
[M]- 307.05535 175.8
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.