CID 3025496

103595-52-4

Structural Information

Molecular Formula
C16H26N2O6S
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)OC)OC
InChI
InChI=1S/C16H26N2O6S/c1-21-13-5-6-14(16(23-3)15(13)22-2)25(19,20)17-7-4-8-18-9-11-24-12-10-18/h5-6,17H,4,7-12H2,1-3H3
InChIKey
JKHDBQAOCNZGIK-UHFFFAOYSA-N
Compound name
2,3,4-trimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.15115 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15843 184.9
[M+Na]+ 397.14037 189.4
[M-H]- 373.14387 189.9
[M+NH4]+ 392.18497 194.2
[M+K]+ 413.11431 188.2
[M+H-H2O]+ 357.14841 176.1
[M+HCOO]- 419.14935 198.1
[M+CH3COO]- 433.16500 215.7
[M+Na-2H]- 395.12582 187.4
[M]+ 374.15060 190.7
[M]- 374.15170 190.7
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.