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 198.6
[M+Na]+ 435.20364 203.7
[M+NH4]+ 430.24824 202.4
[M+K]+ 451.17758 200.5
[M-H]- 411.20714 199.9
[M+Na-2H]- 433.18909 200.5
[M]+ 412.21387 199.5
[M]- 412.21497 199.5
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.