CID 119053

7-methoxytacrine

Structural Information

Molecular Formula
C14H16N2O
SMILES
COC1=CC2=C(C=C1)N=C3CCCCC3=C2N
InChI
InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
InChIKey
APQPVVOYBLOJDY-UHFFFAOYSA-N
Compound name
7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

410
Patents

228.12627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 150.0
[M+Na]+ 251.11549 157.9
[M-H]- 227.11899 153.3
[M+NH4]+ 246.16009 168.5
[M+K]+ 267.08943 153.6
[M+H-H2O]+ 211.12353 142.3
[M+HCOO]- 273.12447 168.9
[M+CH3COO]- 287.14012 161.8
[M+Na-2H]- 249.10094 157.2
[M]+ 228.12572 147.7
[M]- 228.12682 147.7
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