CID 5466993

Nsc646652

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC(C)(C#C)OC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C
InChI
InChI=1S/C19H17NO3/c1-5-19(2,3)23-12-10-15-17(16(21)11-12)18(22)13-8-6-7-9-14(13)20(15)4/h1,6-11,21H,2-4H3
InChIKey
PIGHZUGIELAGHO-UHFFFAOYSA-N
Compound name
1-hydroxy-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

307.12085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 179.5
[M+Na]+ 330.11007 193.1
[M-H]- 306.11357 181.0
[M+NH4]+ 325.15467 193.1
[M+K]+ 346.08401 184.7
[M+H-H2O]+ 290.11811 166.3
[M+HCOO]- 352.11905 192.1
[M+CH3COO]- 366.13470 212.1
[M+Na-2H]- 328.09552 184.0
[M]+ 307.12030 178.3
[M]- 307.12140 178.3
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.