CID 3062329

97799-75-2

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C)NC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C20H29N3O2/c1-12-9-8-10-13(2)16(12)22-17(24)14(3)21-18(25)15-11-19(4,5)23-20(15,6)7/h8-11,14,23H,1-7H3,(H,21,25)(H,22,24)
InChIKey
JMTUFARFRMZHOI-UHFFFAOYSA-N
Compound name
N-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

343.22598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23326 183.2
[M+Na]+ 366.21520 191.3
[M+NH4]+ 361.25980 191.0
[M+K]+ 382.18914 185.1
[M-H]- 342.21870 185.0
[M+Na-2H]- 364.20065 189.3
[M]+ 343.22543 184.8
[M]- 343.22653 184.8
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

patents stripe