PubChemLite - Imisopasem manganese (C21H35N5)

Structural Information

Molecular Formula

SMILES

C1CC[C@@H]2[C@@H](C1)NCCN[C@@H]3CCCC[C@H]3NCC4=CC=CC(=N4)CN2

InChI

InChI=1S/C21H35N5/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20/h5-7,18-25H,1-4,8-15H2/t18-,19-,20-,21-/m1/s1

InChIKey

MTQZSJFDXWEENV-XRXFAXGQSA-N

Compound name

(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene

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]+	358.29653	188.5
[M+Na]+	380.27847	186.9
[M-H]-	356.28197	176.7
[M+NH4]+	375.32307	190.9
[M+K]+	396.25241	178.9
[M+H-H2O]+	340.28651	179.9
[M+HCOO]-	402.28745	182.6
[M+CH3COO]-	416.30310	188.4
[M+Na-2H]-	378.26392	188.5
[M]+	357.28870	166.5
[M]-	357.28980	166.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.29653

188.5

[M+Na]+

380.27847

186.9

[M-H]-

356.28197

176.7

[M+NH4]+

375.32307

190.9

[M+K]+

396.25241

178.9

[M+H-H2O]+

340.28651

179.9

[M+HCOO]-

402.28745

182.6

[M+CH3COO]-

416.30310

188.4

[M+Na-2H]-

378.26392

188.5

[M]+

357.28870

166.5

[M]-

357.28980

166.5

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

Imisopasem manganese

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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