PubChemLite - (r)-tacrine(10)-hupyridone (C32H44N4O)

Structural Information

Molecular Formula

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5

InChI

InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1

InChIKey

ROTFGKJJMRTWBD-HHHXNRCGSA-N

Compound name

(5R)-5-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

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]+	501.35878	221.1
[M+Na]+	523.34072	220.6
[M-H]-	499.34422	222.2
[M+NH4]+	518.38532	225.7
[M+K]+	539.31466	210.7
[M+H-H2O]+	483.34876	207.4
[M+HCOO]-	545.34970	230.2
[M+CH3COO]-	559.36535	223.7
[M+Na-2H]-	521.32617	223.2
[M]+	500.35095	216.1
[M]-	500.35205	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.35878

221.1

[M+Na]+

523.34072

220.6

[M-H]-

499.34422

222.2

[M+NH4]+

518.38532

225.7

[M+K]+

539.31466

210.7

[M+H-H2O]+

483.34876

207.4

[M+HCOO]-

545.34970

230.2

[M+CH3COO]-

559.36535

223.7

[M+Na-2H]-

521.32617

223.2

[M]+

500.35095

216.1

[M]-

500.35205

216.1

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

(r)-tacrine(10)-hupyridone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe