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

28
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

literature stripe

Patent stripe

patents stripe