CID 515936

1-(5-chloro-2-nitro-phenyl)sulfonyl-n,n-diethyl-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C15H16ClN3O5S
SMILES
CCN(CC)C(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H16ClN3O5S/c1-3-17(4-2)15(20)13-6-5-9-18(13)25(23,24)14-10-11(16)7-8-12(14)19(21)22/h5-10H,3-4H2,1-2H3
InChIKey
AGKBTFNUVJEUPJ-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-nitrophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.04993 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.05721 186.4
[M+Na]+ 408.03915 192.8
[M-H]- 384.04265 193.8
[M+NH4]+ 403.08375 198.9
[M+K]+ 424.01309 185.1
[M+H-H2O]+ 368.04719 183.9
[M+HCOO]- 430.04813 200.9
[M+CH3COO]- 444.06378 211.6
[M+Na-2H]- 406.02460 188.8
[M]+ 385.04938 191.7
[M]- 385.05048 191.7
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.