CID 2809480

Maybridge4_001067

Structural Information

Molecular Formula
C16H17NO8S2
SMILES
COC1=C(C=C(C(=C1)C(=O)OC)NS(=O)(=O)C2=C(SC=C2)C(=O)OC)OC
InChI
InChI=1S/C16H17NO8S2/c1-22-11-7-9(15(18)24-3)10(8-12(11)23-2)17-27(20,21)13-5-6-26-14(13)16(19)25-4/h5-8,17H,1-4H3
InChIKey
PFLRQPAFNYALBQ-UHFFFAOYSA-N
Compound name
methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

415.03955 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.04683 192.3
[M+Na]+ 438.02877 199.0
[M-H]- 414.03227 199.1
[M+NH4]+ 433.07337 204.4
[M+K]+ 454.00271 196.7
[M+H-H2O]+ 398.03681 185.5
[M+HCOO]- 460.03775 205.5
[M+CH3COO]- 474.05340 220.1
[M+Na-2H]- 436.01422 191.8
[M]+ 415.03900 203.2
[M]- 415.04010 203.2
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

No patent data available for this compound.