PubChemLite - Mpa n-(piperidinomethyl)imide (C30H44N2O4)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC2CC3C1(CCC4C3(CCCC4C(=O)OC)C)C5C2C(=O)N(C5=O)CN6CCCCC6

InChI

InChI=1S/C30H44N2O4/c1-18(2)22-15-19-16-23-29(3)11-8-9-20(28(35)36-4)21(29)10-12-30(22,23)25-24(19)26(33)32(27(25)34)17-31-13-6-5-7-14-31/h15,18-21,23-25H,5-14,16-17H2,1-4H3

InChIKey

DRSUGUXOFNIJHR-UHFFFAOYSA-N

Compound name

methyl 9-methyl-14,16-dioxo-15-(piperidin-1-ylmethyl)-18-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylate

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]+	497.33738	216.9
[M+Na]+	519.31932	214.8
[M-H]-	495.32282	215.6
[M+NH4]+	514.36392	230.6
[M+K]+	535.29326	209.4
[M+H-H2O]+	479.32736	204.3
[M+HCOO]-	541.32830	210.0
[M+CH3COO]-	555.34395	218.4
[M+Na-2H]-	517.30477	211.2
[M]+	496.32955	210.8
[M]-	496.33065	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

497.33738

216.9

[M+Na]+

519.31932

214.8

[M-H]-

495.32282

215.6

[M+NH4]+

514.36392

230.6

[M+K]+

535.29326

209.4

[M+H-H2O]+

479.32736

204.3

[M+HCOO]-

541.32830

210.0

[M+CH3COO]-

555.34395

218.4

[M+Na-2H]-

517.30477

211.2

[M]+

496.32955

210.8

[M]-

496.33065

210.8

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

Mpa n-(piperidinomethyl)imide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe