CID 1935

Tacrine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)N
InChI
InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
InChIKey
YLJREFDVOIBQDA-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2314
References

50049
Patents

198.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 141.5
[M+Na]+ 221.10491 149.1
[M-H]- 197.10841 144.7
[M+NH4]+ 216.14951 161.0
[M+K]+ 237.07885 144.3
[M+H-H2O]+ 181.11295 134.0
[M+HCOO]- 243.11389 160.6
[M+CH3COO]- 257.12954 153.6
[M+Na-2H]- 219.09036 150.0
[M]+ 198.11514 137.0
[M]- 198.11624 137.0
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.