CID 5467450

Nsc652551

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC(C)(C#C)OCCCCOC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C
InChI
InChI=1S/C23H25NO4/c1-5-23(2,3)28-13-9-8-12-27-16-14-19-21(20(25)15-16)22(26)17-10-6-7-11-18(17)24(19)4/h1,6-7,10-11,14-15,25H,8-9,12-13H2,2-4H3
InChIKey
PHSVTDPMCASFSA-UHFFFAOYSA-N
Compound name
1-hydroxy-10-methyl-3-[4-(2-methylbut-3-yn-2-yloxy)butoxy]acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 197.9
[M+Na]+ 402.16756 209.5
[M-H]- 378.17106 198.6
[M+NH4]+ 397.21216 208.6
[M+K]+ 418.14150 201.1
[M+H-H2O]+ 362.17560 183.7
[M+HCOO]- 424.17654 209.4
[M+CH3COO]- 438.19219 224.5
[M+Na-2H]- 400.15301 200.7
[M]+ 379.17779 199.0
[M]- 379.17889 199.0
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.