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]+ 309.159746 172.2
[M+Na]+ 331.141688 181.5
[M-H]- 307.145194 177.0
[M+NH4]+ 326.186293 187.5
[M+K]+ 347.115628 174.7
[M+H-H2O]+ 291.149730 163.1
[M+HCOO]- 353.150671 190.0
[M+CH3COO]- 367.166321 183.0
[M+Na-2H]- 329.127136 176.2
[M]+ 308.15192142 172.6
[M]- 308.15301858 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.