CID 477809

Bdbm2404

Structural Information

Molecular Formula
C15H17ClN2O5S
SMILES
CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)COC
InChI
InChI=1S/C15H17ClN2O5S/c1-3-23-15(19)13-6-10(9-22-2)8-18(13)24(20,21)14-7-11(16)4-5-12(14)17/h4-8H,3,9,17H2,1-2H3
InChIKey
FTVQQRNXPNFCEJ-UHFFFAOYSA-N
Compound name
ethyl 1-(2-amino-5-chlorophenyl)sulfonyl-4-(methoxymethyl)pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.05466 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06194 182.9
[M+Na]+ 395.04388 192.4
[M-H]- 371.04738 189.1
[M+NH4]+ 390.08848 196.8
[M+K]+ 411.01782 187.8
[M+H-H2O]+ 355.05192 176.6
[M+HCOO]- 417.05286 196.0
[M+CH3COO]- 431.06851 212.7
[M+Na-2H]- 393.02933 182.0
[M]+ 372.05411 191.5
[M]- 372.05521 191.5
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.