CID 481116

Ethyl 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylate

Structural Information

Molecular Formula
C14H13N3O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C14H13N3O5S/c1-2-22-13(18)12-4-3-7-17(12)23(20,21)9-5-6-10-11(8-9)16-14(19)15-10/h3-8H,2H2,1H3,(H2,15,16,19)
InChIKey
HRIWQLCZHXTLQE-UHFFFAOYSA-N
Compound name
ethyl 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0576 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06488 175.4
[M+Na]+ 358.04682 186.7
[M-H]- 334.05032 178.9
[M+NH4]+ 353.09142 189.1
[M+K]+ 374.02076 181.8
[M+H-H2O]+ 318.05486 169.5
[M+HCOO]- 380.05580 190.0
[M+CH3COO]- 394.07145 198.2
[M+Na-2H]- 356.03227 176.6
[M]+ 335.05705 181.1
[M]- 335.05815 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.