CID 515923

Cyclopropylmethyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C15H15ClN2O4S
SMILES
C1CC1COC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C15H15ClN2O4S/c16-11-5-6-12(17)14(8-11)23(20,21)18-7-1-2-13(18)15(19)22-9-10-3-4-10/h1-2,5-8,10H,3-4,9,17H2
InChIKey
LABDOPRWKXIUIH-UHFFFAOYSA-N
Compound name
cyclopropylmethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.0441 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05138 172.7
[M+Na]+ 377.03332 182.9
[M-H]- 353.03682 181.8
[M+NH4]+ 372.07792 182.3
[M+K]+ 393.00726 176.5
[M+H-H2O]+ 337.04136 166.6
[M+HCOO]- 399.04230 186.3
[M+CH3COO]- 413.05795 209.9
[M+Na-2H]- 375.01877 172.9
[M]+ 354.04355 180.5
[M]- 354.04465 180.5
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.