CID 46707432

9-chloro-7-methoxy-1,2,3,4-tetrahydroacridine

Structural Information

Molecular Formula
C14H14ClNO
SMILES
COC1=CC2=C(C=C1)N=C3CCCCC3=C2Cl
InChI
InChI=1S/C14H14ClNO/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
InChIKey
WVWZZVYSFUSLRK-UHFFFAOYSA-N
Compound name
9-chloro-7-methoxy-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.07639 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 152.5
[M+Na]+ 270.06561 162.0
[M-H]- 246.06911 156.1
[M+NH4]+ 265.11021 171.7
[M+K]+ 286.03955 156.5
[M+H-H2O]+ 230.07365 145.6
[M+HCOO]- 292.07459 166.4
[M+CH3COO]- 306.09024 164.7
[M+Na-2H]- 268.05106 159.6
[M]+ 247.07584 153.9
[M]- 247.07694 153.9
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