CID 3009869

Chembl304110

Structural Information

Molecular Formula
C30H44N8O4
SMILES
CC(C)N1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C(C)C)C(C)C)NC=O
InChI
InChI=1S/C30H44N8O4/c1-19(2)36-15-22(32-18-39)12-26(36)29(41)34-24-14-27(38(17-24)21(5)6)30(42)33-23-13-25(37(16-23)20(3)4)28(40)31-10-9-11-35(7)8/h12-21H,9-11H2,1-8H3,(H,31,40)(H,32,39)(H,33,42)(H,34,41)
InChIKey
LXDLAYMKPDMJMP-UHFFFAOYSA-N
Compound name
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-propan-2-ylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-propan-2-ylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

580.3486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.35588 243.3
[M+Na]+ 603.33782 242.9
[M-H]- 579.34132 253.1
[M+NH4]+ 598.38242 247.4
[M+K]+ 619.31176 243.1
[M+H-H2O]+ 563.34586 233.0
[M+HCOO]- 625.34680 264.6
[M+CH3COO]- 639.36245 275.9
[M+Na-2H]- 601.32327 233.5
[M]+ 580.34805 249.8
[M]- 580.34915 249.8
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.