CID 1933

9-n-phenylmethylamino-tacrine

Structural Information

Molecular Formula
C20H20N2
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCC4=CC=CC=C4
InChI
InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)
InChIKey
JYJAEHAURXXPSD-UHFFFAOYSA-N
Compound name
N-benzyl-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

288.16266 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 166.1
[M+Na]+ 311.15188 171.7
[M-H]- 287.15538 171.9
[M+NH4]+ 306.19648 181.3
[M+K]+ 327.12582 164.9
[M+H-H2O]+ 271.15992 156.0
[M+HCOO]- 333.16086 184.6
[M+CH3COO]- 347.17651 176.1
[M+Na-2H]- 309.13733 174.2
[M]+ 288.16211 162.1
[M]- 288.16321 162.1
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.