CID 14306924

Brn 5993124

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C(C2=CC=CC=C2)O)C
InChI
InChI=1S/C19H27N3O3/c1-18(2)12-14(19(3,4)22-18)16(24)20-10-11-21-17(25)15(23)13-8-6-5-7-9-13/h5-9,12,15,22-23H,10-11H2,1-4H3,(H,20,24)(H,21,25)
InChIKey
MRPCHNJPVVFGLO-UHFFFAOYSA-N
Compound name
N-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.20523 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 182.5
[M+Na]+ 368.19445 189.0
[M+NH4]+ 363.23905 189.5
[M+K]+ 384.16839 183.5
[M-H]- 344.19795 183.2
[M+Na-2H]- 366.17990 188.3
[M]+ 345.20468 183.3
[M]- 345.20578 183.3
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.