CID 471044

N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[(1,3-dioxoindan-2-yl)amino]-1-methyl-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C32H36N8O5
SMILES
CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C32H36N8O5/c1-37(2)12-8-11-33-30(43)24-14-20(17-38(24)3)35-32(45)26-15-21(18-40(26)5)36-31(44)25-13-19(16-39(25)4)34-27-28(41)22-9-6-7-10-23(22)29(27)42/h6-7,9-10,13-18,27,34H,8,11-12H2,1-5H3,(H,33,43)(H,35,45)(H,36,44)
InChIKey
IAQKKSDKSQSVAY-UHFFFAOYSA-N
Compound name
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[(1,3-dioxoinden-2-yl)amino]-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

612.2809 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.28818 240.7
[M+Na]+ 635.27012 242.9
[M-H]- 611.27362 255.9
[M+NH4]+ 630.31472 246.0
[M+K]+ 651.24406 241.8
[M+H-H2O]+ 595.27816 232.2
[M+HCOO]- 657.27910 264.4
[M+CH3COO]- 671.29475 278.6
[M+Na-2H]- 633.25557 233.4
[M]+ 612.28035 247.7
[M]- 612.28145 247.7
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.