CID 24845212

Brn 5997542

Structural Information

Molecular Formula
C20H29N2O3
SMILES
CC1=C(C(=CC=C1)C)OCC(C)NC(=O)C2=CC(N(C2(C)C)[O-])(C)C
InChI
InChI=1S/C20H29N2O3/c1-13-9-8-10-14(2)17(13)25-12-15(3)21-18(23)16-11-19(4,5)22(24)20(16,6)7/h8-11,15H,12H2,1-7H3,(H,21,23)/q-1
InChIKey
RWRIRZATLFYONU-UHFFFAOYSA-N
Compound name
N-[1-(2,6-dimethylphenoxy)propan-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

345.2178 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22508 178.6
[M+Na]+ 368.20702 186.0
[M-H]- 344.21052 183.1
[M+NH4]+ 363.25162 196.2
[M+K]+ 384.18096 183.9
[M+H-H2O]+ 328.21506 175.0
[M+HCOO]- 390.21600 198.3
[M+CH3COO]- 404.23165 215.9
[M+Na-2H]- 366.19247 177.6
[M]+ 345.21725 181.6
[M]- 345.21835 181.6
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.