CID 13756062

9-((2-phenylethyl)amino)-1,2,3,4-tetrahydro-1-acridinol (z)-2-butenedioate (1:1) (salt)

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCC4=CC=CC=C4)O
InChI
InChI=1S/C21H22N2O/c24-19-12-6-11-18-20(19)21(16-9-4-5-10-17(16)23-18)22-14-13-15-7-2-1-3-8-15/h1-5,7-10,19,24H,6,11-14H2,(H,22,23)
InChIKey
CSTQOUIHHVJLQT-UHFFFAOYSA-N
Compound name
9-(2-phenylethylamino)-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

318.17322 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 174.3
[M+Na]+ 341.16244 179.8
[M-H]- 317.16594 179.0
[M+NH4]+ 336.20704 187.9
[M+K]+ 357.13638 172.8
[M+H-H2O]+ 301.17048 164.4
[M+HCOO]- 363.17142 191.1
[M+CH3COO]- 377.18707 183.4
[M+Na-2H]- 339.14789 180.8
[M]+ 318.17267 170.7
[M]- 318.17377 170.7
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