CID 24845223

Brn 6004064

Structural Information

Molecular Formula
C19H26N3O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(N(C2(C)C)[O-])(C)C
InChI
InChI=1S/C19H26N3O3/c1-12-8-7-9-13(2)16(12)21-15(23)11-20-17(24)14-10-18(3,4)22(25)19(14,5)6/h7-10H,11H2,1-6H3,(H,20,24)(H,21,23)/q-1
InChIKey
FZAXPAMFJHCKSS-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19742 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20470 177.3
[M+Na]+ 367.18664 184.5
[M-H]- 343.19014 182.0
[M+NH4]+ 362.23124 194.5
[M+K]+ 383.16058 182.1
[M+H-H2O]+ 327.19468 173.6
[M+HCOO]- 389.19562 198.5
[M+CH3COO]- 403.21127 216.5
[M+Na-2H]- 365.17209 177.4
[M]+ 344.19687 178.4
[M]- 344.19797 178.4
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

No patent data available for this compound.