CID 43605633

N-(2-amino-2-phenylethyl)-1-methyl-1h-pyrrole-3-sulfonamide

Structural Information

Molecular Formula
C13H17N3O2S
SMILES
CN1C=CC(=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N
InChI
InChI=1S/C13H17N3O2S/c1-16-8-7-12(10-16)19(17,18)15-9-13(14)11-5-3-2-4-6-11/h2-8,10,13,15H,9,14H2,1H3
InChIKey
GMEJGKRCUKOSJH-UHFFFAOYSA-N
Compound name
N-(2-amino-2-phenylethyl)-1-methylpyrrole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.10416 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11144 162.6
[M+Na]+ 302.09338 171.7
[M+NH4]+ 297.13798 169.3
[M+K]+ 318.06732 167.0
[M-H]- 278.09688 165.1
[M+Na-2H]- 300.07883 168.7
[M]+ 279.10361 164.8
[M]- 279.10471 164.8
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

patents stripe