CID 3071122

Benzoic acid, 4-(((1-methyl-5-(4-methylbenzoyl)-1h-pyrrol-2-yl)acetyl)amino)-, ethyl ester

Structural Information

Molecular Formula
C24H24N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(N2C)C(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H24N2O4/c1-4-30-24(29)18-9-11-19(12-10-18)25-22(27)15-20-13-14-21(26(20)3)23(28)17-7-5-16(2)6-8-17/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKey
ILIYQAMHUPBRHY-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 198.5
[M+Na]+ 427.16282 203.9
[M-H]- 403.16632 207.2
[M+NH4]+ 422.20742 208.9
[M+K]+ 443.13676 199.8
[M+H-H2O]+ 387.17086 188.6
[M+HCOO]- 449.17180 219.5
[M+CH3COO]- 463.18745 227.1
[M+Na-2H]- 425.14827 195.5
[M]+ 404.17305 202.1
[M]- 404.17415 202.1
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.