CID 86579615

1453117-94-6

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN3C(=O)CCC3=O)C
InChI
InChI=1S/C17H17N3O3/c1-11-3-4-12(2)19(11)14-7-5-13(6-8-14)17(23)18-20-15(21)9-10-16(20)22/h3-8H,9-10H2,1-2H3,(H,18,23)
InChIKey
XJKYBONACNZVMS-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrol-1-yl)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 171.5
[M+Na]+ 334.11620 179.6
[M-H]- 310.11970 179.9
[M+NH4]+ 329.16080 186.8
[M+K]+ 350.09014 175.6
[M+H-H2O]+ 294.12424 163.1
[M+HCOO]- 356.12518 193.5
[M+CH3COO]- 370.14083 207.8
[M+Na-2H]- 332.10165 169.2
[M]+ 311.12643 171.7
[M]- 311.12753 171.7
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.