CID 49767816

9-acridinecarboxamide, n-[8-[[2-[1-[(2r,5s)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]acetyl]amino]decyl]-

Structural Information

Molecular Formula
C35H41N5O6
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCCCCCCCCCCNC(=O)CC4=CN(C(=O)NC4=O)[C@H]5C=C[C@H](O5)CO
InChI
InChI=1S/C35H41N5O6/c41-23-25-17-18-31(46-25)40-22-24(33(43)39-35(40)45)21-30(42)36-19-11-5-3-1-2-4-6-12-20-37-34(44)32-26-13-7-9-15-28(26)38-29-16-10-8-14-27(29)32/h7-10,13-18,22,25,31,41H,1-6,11-12,19-21,23H2,(H,36,42)(H,37,44)(H,39,43,45)/t25-,31+/m0/s1
InChIKey
YNMKHIAFQBQZQU-VVFBEHOQSA-N
Compound name
N-[10-[[2-[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]acetyl]amino]decyl]acridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

627.30566 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.31294 251.4
[M+Na]+ 650.29488 253.1
[M-H]- 626.29838 256.1
[M+NH4]+ 645.33948 248.1
[M+K]+ 666.26882 246.9
[M+H-H2O]+ 610.30292 238.0
[M+HCOO]- 672.30386 263.0
[M+CH3COO]- 686.31951 267.3
[M+Na-2H]- 648.28033 249.8
[M]+ 627.30511 256.2
[M]- 627.30621 256.2
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.