CID 28818964

1000932-72-8

Structural Information

Molecular Formula
C12H20N4O4S
SMILES
CN1C=C(C=C1C(=O)NCCN)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C12H20N4O4S/c1-15-9-10(8-11(15)12(17)14-3-2-13)21(18,19)16-4-6-20-7-5-16/h8-9H,2-7,13H2,1H3,(H,14,17)
InChIKey
KZBNVXBIDOKTSV-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1205 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12778 170.7
[M+Na]+ 339.10972 176.8
[M+NH4]+ 334.15432 174.9
[M+K]+ 355.08366 174.8
[M-H]- 315.11322 171.8
[M+Na-2H]- 337.09517 172.3
[M]+ 316.11995 171.7
[M]- 316.12105 171.7
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.