CID 502152

9h-fluoren-9-ylmethyl n-[5-amino-1-[[4-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-4-oxo-butyl]carbamoyl]pentyl]carbamate

Structural Information

Molecular Formula
C36H56N8O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NCCCNCCCCNCCCN
InChI
InChI=1S/C36H56N8O5/c37-18-6-5-15-31(44-36(48)49-25-30-28-13-3-1-11-26(28)27-12-2-4-14-29(27)30)35(47)43-32(16-17-33(39)45)34(46)42-24-10-23-41-21-8-7-20-40-22-9-19-38/h1-4,11-14,30-32,40-41H,5-10,15-25,37-38H2,(H2,39,45)(H,42,46)(H,43,47)(H,44,48)
InChIKey
UMVIRIMBUHSBHT-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

680.4374 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.44468 257.4
[M+Na]+ 703.42662 259.9
[M-H]- 679.43012 256.6
[M+NH4]+ 698.47122 260.3
[M+K]+ 719.40056 262.9
[M+H-H2O]+ 663.43466 238.5
[M+HCOO]- 725.43560 261.1
[M+CH3COO]- 739.45125 297.9
[M+Na-2H]- 701.41207 289.2
[M]+ 680.43685 291.8
[M]- 680.43795 291.8
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.