CID 211019

4-acetyl-n-benzyl-3,5-dimethyl-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-10-14(12(3)19)11(2)18-15(10)16(20)17-9-13-7-5-4-6-8-13/h4-8,18H,9H2,1-3H3,(H,17,20)
InChIKey
NCKJEVKMSGMNOF-UHFFFAOYSA-N
Compound name
4-acetyl-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 165.0
[M+Na]+ 293.12606 176.0
[M+NH4]+ 288.17066 171.4
[M+K]+ 309.10000 172.2
[M-H]- 269.12956 167.2
[M+Na-2H]- 291.11151 170.4
[M]+ 270.13629 166.9
[M]- 270.13739 166.9
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.