CID 24845218

Brn 6006407

Structural Information

Molecular Formula
C20H28N3O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C)NC(=O)C2=CC(N(C2(C)C)[O-])(C)C
InChI
InChI=1S/C20H28N3O3/c1-12-9-8-10-13(2)16(12)22-17(24)14(3)21-18(25)15-11-19(4,5)23(26)20(15,6)7/h8-11,14H,1-7H3,(H,21,25)(H,22,24)/q-1
InChIKey
MQAFAUFFOOCMDN-UHFFFAOYSA-N
Compound name
N-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.21307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22035 181.2
[M+Na]+ 381.20229 187.7
[M-H]- 357.20579 185.8
[M+NH4]+ 376.24689 197.8
[M+K]+ 397.17623 185.8
[M+H-H2O]+ 341.21033 177.7
[M+HCOO]- 403.21127 201.1
[M+CH3COO]- 417.22692 220.4
[M+Na-2H]- 379.18774 179.8
[M]+ 358.21252 182.1
[M]- 358.21362 182.1
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.