CID 42693

Brn 0437788

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2)CN4CCCC4
InChI
InChI=1S/C19H20N2O2/c1-23-17-9-8-14-18(15(17)12-21-10-4-5-11-21)20-16-7-3-2-6-13(16)19(14)22/h2-3,6-9H,4-5,10-12H2,1H3,(H,20,22)
InChIKey
LXUTZFPXWAIMJJ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(pyrrolidin-1-ylmethyl)-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.2
[M+Na]+ 331.14169 181.5
[M-H]- 307.14519 177.0
[M+NH4]+ 326.18629 187.5
[M+K]+ 347.11563 174.7
[M+H-H2O]+ 291.14973 163.1
[M+HCOO]- 353.15067 190.0
[M+CH3COO]- 367.16632 183.0
[M+Na-2H]- 329.12714 176.2
[M]+ 308.15192 172.6
[M]- 308.15302 172.6
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.