PubChemLite - Pharmagsid_48509 (C25H39N3O2)

Structural Information

Molecular Formula

SMILES

CCCN([C@@H]1CCC2=C(C1)C=C(C=C2)OC)C3CCN(CC3)C(=O)C4CCNCC4

InChI

InChI=1S/C25H39N3O2/c1-3-14-28(23-6-4-19-5-7-24(30-2)18-21(19)17-23)22-10-15-27(16-11-22)25(29)20-8-12-26-13-9-20/h5,7,18,20,22-23,26H,3-4,6,8-17H2,1-2H3/t23-/m1/s1

InChIKey

KTAULCNFQYFKTN-HSZRJFAPSA-N

Compound name

[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]piperidin-1-yl]-piperidin-4-ylmethanone

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]+	414.31151	204.4
[M+Na]+	436.29345	201.7
[M-H]-	412.29695	208.1
[M+NH4]+	431.33805	211.0
[M+K]+	452.26739	196.9
[M+H-H2O]+	396.30149	192.0
[M+HCOO]-	458.30243	211.0
[M+CH3COO]-	472.31808	229.6
[M+Na-2H]-	434.27890	200.3
[M]+	413.30368	193.8
[M]-	413.30478	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.31151

204.4

[M+Na]+

436.29345

201.7

[M-H]-

412.29695

208.1

[M+NH4]+

431.33805

211.0

[M+K]+

452.26739

196.9

[M+H-H2O]+

396.30149

192.0

[M+HCOO]-

458.30243

211.0

[M+CH3COO]-

472.31808

229.6

[M+Na-2H]-

434.27890

200.3

[M]+

413.30368

193.8

[M]-

413.30478

193.8

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

Pharmagsid_48509

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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