CID 461164

162152-04-7

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)NC)C(=O)NC)C
InChI
InChI=1S/C18H23N3O2/c1-5-21-12(2)15(17(22)19-3)16(18(23)20-4)14(21)11-13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
WPGQYVBZCMEASJ-UHFFFAOYSA-N
Compound name
2-benzyl-1-ethyl-3-N,4-N,5-trimethylpyrrole-3,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 176.9
[M+Na]+ 336.16824 183.5
[M-H]- 312.17174 182.9
[M+NH4]+ 331.21284 191.8
[M+K]+ 352.14218 179.7
[M+H-H2O]+ 296.17628 168.5
[M+HCOO]- 358.17722 200.2
[M+CH3COO]- 372.19287 214.1
[M+Na-2H]- 334.15369 176.1
[M]+ 313.17847 178.8
[M]- 313.17957 178.8
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.