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]+ 317.127776 171.3
[M+Na]+ 339.109718 176.4
[M-H]- 315.113224 175.2
[M+NH4]+ 334.154323 182.9
[M+K]+ 355.083658 174.5
[M+H-H2O]+ 299.117760 163.5
[M+HCOO]- 361.118701 184.5
[M+CH3COO]- 375.134351 204.8
[M+Na-2H]- 337.095166 172.0
[M]+ 316.11995142 170.8
[M]- 316.12104858 170.8
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.