CID 461165

1h-pyrrole-3,4-dicarboxamide, 1-ethyl-n,n,n',n',2-pentamethyl-5-(phenylmethyl)-

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)N(C)C)C(=O)N(C)C)C
InChI
InChI=1S/C20H27N3O2/c1-7-23-14(2)17(19(24)21(3)4)18(20(25)22(5)6)16(23)13-15-11-9-8-10-12-15/h8-12H,7,13H2,1-6H3
InChIKey
XTJRQWPELRAXOD-UHFFFAOYSA-N
Compound name
2-benzyl-1-ethyl-3-N,3-N,4-N,4-N,5-pentamethylpyrrole-3,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 185.0
[M+Na]+ 364.19955 191.1
[M-H]- 340.20305 193.7
[M+NH4]+ 359.24415 200.1
[M+K]+ 380.17349 189.7
[M+H-H2O]+ 324.20759 176.2
[M+HCOO]- 386.20853 208.8
[M+CH3COO]- 400.22418 226.7
[M+Na-2H]- 362.18500 181.9
[M]+ 341.20978 190.3
[M]- 341.21088 190.3
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.