CID 448167

9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine

Structural Information

Molecular Formula
C20H19IN2
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCC4=CC(=CC=C4)I
InChI
InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23)
InChIKey
ZUCWQTWGZGIYPV-UHFFFAOYSA-N
Compound name
N-[(3-iodophenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

414.0593 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06658 172.9
[M+Na]+ 437.04852 172.0
[M-H]- 413.05202 171.1
[M+NH4]+ 432.09312 182.8
[M+K]+ 453.02246 171.2
[M+H-H2O]+ 397.05656 159.3
[M+HCOO]- 459.05750 186.2
[M+CH3COO]- 473.07315 178.6
[M+Na-2H]- 435.03397 168.7
[M]+ 414.05875 166.8
[M]- 414.05985 166.8
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