CID 56114

Brn 5638571

Structural Information

Molecular Formula
C19H32N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)NCS(=O)(=O)N(C)C)C)OC
InChI
InChI=1S/C19H32N4O4S/c1-6-23-9-7-8-15(23)12-20-19(24)16-11-17(14(2)10-18(16)27-5)21-13-28(25,26)22(3)4/h10-11,15,21H,6-9,12-13H2,1-5H3,(H,20,24)
InChIKey
PNEYMXXDEAQOEF-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoylmethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.21442 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22170 198.5
[M+Na]+ 435.20364 201.9
[M-H]- 411.20714 204.6
[M+NH4]+ 430.24824 209.8
[M+K]+ 451.17758 199.6
[M+H-H2O]+ 395.21168 190.0
[M+HCOO]- 457.21262 214.7
[M+CH3COO]- 471.22827 233.8
[M+Na-2H]- 433.18909 196.3
[M]+ 412.21387 203.0
[M]- 412.21497 203.0
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.