CID 211019

22056-47-9

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 163.9
[M+Na]+ 293.12606 170.9
[M-H]- 269.12956 168.5
[M+NH4]+ 288.17066 179.9
[M+K]+ 309.10000 166.7
[M+H-H2O]+ 253.13410 156.4
[M+HCOO]- 315.13504 185.5
[M+CH3COO]- 329.15069 199.9
[M+Na-2H]- 291.11151 163.9
[M]+ 270.13629 163.7
[M]- 270.13739 163.7
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.