CID 3025614

1,2,3,4-tetrahydro-9-(((3-methylphenyl)methyl)amino)-1-acridinol

Structural Information

Molecular Formula
C21H22N2O
SMILES
CC1=CC(=CC=C1)CNC2=C3C(CCCC3=NC4=CC=CC=C42)O
InChI
InChI=1S/C21H22N2O/c1-14-6-4-7-15(12-14)13-22-21-16-8-2-3-9-17(16)23-18-10-5-11-19(24)20(18)21/h2-4,6-9,12,19,24H,5,10-11,13H2,1H3,(H,22,23)
InChIKey
VQTIDCIBXATCPW-UHFFFAOYSA-N
Compound name
9-[(3-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

318.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 175.4
[M+Na]+ 341.16244 181.9
[M-H]- 317.16594 180.5
[M+NH4]+ 336.20704 189.3
[M+K]+ 357.13638 174.9
[M+H-H2O]+ 301.17048 165.7
[M+HCOO]- 363.17142 192.2
[M+CH3COO]- 377.18707 184.9
[M+Na-2H]- 339.14789 181.1
[M]+ 318.17267 172.3
[M]- 318.17377 172.3
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