PubChemLite - Bis-7-tacrine (C33H40N4)

Structural Information

Molecular Formula

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64

InChI

InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)

InChIKey

ITZOKHKOFJOBFS-UHFFFAOYSA-N

Compound name

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	493.33258	229.1
[M+Na]+	515.31452	244.4
[M+NH4]+	510.35912	238.4
[M+K]+	531.28846	230.7
[M-H]-	491.31802	237.4
[M+Na-2H]-	513.29997	235.4
[M]+	492.32475	233.9
[M]-	492.32585	233.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.33258

229.1

[M+Na]+

515.31452

244.4

[M+NH4]+

510.35912

238.4

[M+K]+

531.28846

230.7

[M-H]-

491.31802

237.4

[M+Na-2H]-

513.29997

235.4

[M]+

492.32475

233.9

[M]-

492.32585

233.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bis-7-tacrine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe