CID 60601

Suronacrine maleate

Structural Information

Molecular Formula
C20H20N2O
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CC=C4)O
InChI
InChI=1S/C20H20N2O/c23-18-12-6-11-17-19(18)20(15-9-4-5-10-16(15)22-17)21-13-14-7-2-1-3-8-14/h1-5,7-10,18,23H,6,11-13H2,(H,21,22)
InChIKey
HERUZAOANPGYSY-UHFFFAOYSA-N
Compound name
9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

430
Patents

304.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 169.8
[M+Na]+ 327.14678 175.8
[M-H]- 303.15028 174.7
[M+NH4]+ 322.19138 184.0
[M+K]+ 343.12072 169.0
[M+H-H2O]+ 287.15482 160.2
[M+HCOO]- 349.15576 187.0
[M+CH3COO]- 363.17141 179.4
[M+Na-2H]- 325.13223 176.9
[M]+ 304.15701 166.0
[M]- 304.15811 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe