CID 5275942

Chembl296195

Structural Information

Molecular Formula
C26H28N4O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4N(C5=CC=CC=C35)C)O
InChI
InChI=1S/C26H28N4O5/c1-3-15-14-30(26(34)28-24(15)32)22-12-20(31)21(35-22)13-27-25(33)23-16-8-4-6-10-18(16)29(2)19-11-7-5-9-17(19)23/h4-11,14,20-23,31H,3,12-13H2,1-2H3,(H,27,33)(H,28,32,34)/t20-,21+,22+/m0/s1
InChIKey
YIZYYJUDHVJPME-BHDDXSALSA-N
Compound name
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-10-methyl-9H-acridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

476.20596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.21324 216.8
[M+Na]+ 499.19518 223.6
[M-H]- 475.19868 222.9
[M+NH4]+ 494.23978 221.0
[M+K]+ 515.16912 217.6
[M+H-H2O]+ 459.20322 205.7
[M+HCOO]- 521.20416 227.1
[M+CH3COO]- 535.21981 223.0
[M+Na-2H]- 497.18063 214.6
[M]+ 476.20541 216.6
[M]- 476.20651 216.6
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.