CID 3018949

80623-13-8

Structural Information

Molecular Formula
C16H25N3O5S
SMILES
CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2)S(=O)(=O)N)OC)OC
InChI
InChI=1S/C16H25N3O5S/c1-4-19-7-5-6-11(19)10-18-16(20)13-8-12(25(17,21)22)9-14(23-2)15(13)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKey
VTFRBNGFKHGVAV-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.158776 185.5
[M+Na]+ 394.140718 190.9
[M-H]- 370.144224 190.3
[M+NH4]+ 389.185323 197.9
[M+K]+ 410.114658 188.0
[M+H-H2O]+ 354.148760 178.0
[M+HCOO]- 416.149701 200.9
[M+CH3COO]- 430.165351 218.2
[M+Na-2H]- 392.126166 183.8
[M]+ 371.15095142 188.9
[M]- 371.15204858 188.9
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.