PubChemLite - Brn 2793017 (C32H46N2O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN(C)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)(C2(C)C)C

InChI

InChI=1S/C32H46N2O2/c1-7-34(8-2)22-21-33(6)23-26-27-19-20-32(5,31(27,3)4)29(26)36-30(35)28(24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-29H,7-8,19-23H2,1-6H3

InChIKey

ZQFCJWAEOHJSHI-UHFFFAOYSA-N

Compound name

[3-[[2-(diethylamino)ethyl-methylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate

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]+	491.36321	228.5
[M+Na]+	513.34515	229.4
[M-H]-	489.34865	238.4
[M+NH4]+	508.38975	244.8
[M+K]+	529.31909	226.1
[M+H-H2O]+	473.35319	220.0
[M+HCOO]-	535.35413	246.1
[M+CH3COO]-	549.36978	253.4
[M+Na-2H]-	511.33060	222.8
[M]+	490.35538	232.6
[M]-	490.35648	232.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.36321

228.5

[M+Na]+

513.34515

229.4

[M-H]-

489.34865

238.4

[M+NH4]+

508.38975

244.8

[M+K]+

529.31909

226.1

[M+H-H2O]+

473.35319

220.0

[M+HCOO]-

535.35413

246.1

[M+CH3COO]-

549.36978

253.4

[M+Na-2H]-

511.33060

222.8

[M]+

490.35538

232.6

[M]-

490.35648

232.6

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

Brn 2793017

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe