CID 464854

173908-37-7

Structural Information

Molecular Formula
C14H15ClN2O4S
SMILES
CC(C)OC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C14H15ClN2O4S/c1-9(2)21-14(18)12-4-3-7-17(12)22(19,20)13-8-10(15)5-6-11(13)16/h3-9H,16H2,1-2H3
InChIKey
XYFHUOSUAQXPEP-UHFFFAOYSA-N
Compound name
propan-2-yl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.0441 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05138 175.5
[M+Na]+ 365.03332 184.7
[M-H]- 341.03682 181.7
[M+NH4]+ 360.07792 190.5
[M+K]+ 381.00726 180.2
[M+H-H2O]+ 325.04136 169.5
[M+HCOO]- 387.04230 187.9
[M+CH3COO]- 401.05795 207.1
[M+Na-2H]- 363.01877 174.4
[M]+ 342.04355 181.5
[M]- 342.04465 181.5
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.