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 171.3
[M+Na]+ 339.10972 176.4
[M-H]- 315.11322 175.2
[M+NH4]+ 334.15432 182.9
[M+K]+ 355.08366 174.5
[M+H-H2O]+ 299.11776 163.5
[M+HCOO]- 361.11870 184.5
[M+CH3COO]- 375.13435 204.8
[M+Na-2H]- 337.09517 172.0
[M]+ 316.11995 170.8
[M]- 316.12105 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.