CID 378565

Nsc661204

Structural Information

Molecular Formula
C20H19NO3
SMILES
CC(C)(C#C)OC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3N2C
InChI
InChI=1S/C20H19NO3/c1-6-20(2,3)24-13-11-16-18(17(12-13)23-5)19(22)14-9-7-8-10-15(14)21(16)4/h1,7-12H,2-5H3
InChIKey
YROHGMCYIGGUGE-UHFFFAOYSA-N
Compound name
1-methoxy-10-methyl-3-(2-methylbut-3-yn-2-yloxy)acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 182.1
[M+Na]+ 344.12572 195.7
[M-H]- 320.12922 184.6
[M+NH4]+ 339.17032 195.8
[M+K]+ 360.09966 187.7
[M+H-H2O]+ 304.13376 168.3
[M+HCOO]- 366.13470 195.8
[M+CH3COO]- 380.15035 216.8
[M+Na-2H]- 342.11117 186.6
[M]+ 321.13595 182.8
[M]- 321.13705 182.8
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.