PubChemLite - 74296-42-7 (C23H29Cl2N3O4)

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H29Cl2N3O4/c1-13(2)26-22(29)31-11-16-17(12-32-23(30)27-14(3)4)21(28-9-5-6-20(16)28)15-7-8-18(24)19(25)10-15/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,26,29)(H,27,30)

InChIKey

CCBHSPUYWZHDFX-UHFFFAOYSA-N

Compound name

[3-(3,4-dichlorophenyl)-2-(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propan-2-ylcarbamate

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]+	482.16078	217.9
[M+Na]+	504.14272	223.3
[M-H]-	480.14622	223.9
[M+NH4]+	499.18732	230.0
[M+K]+	520.11666	218.4
[M+H-H2O]+	464.15076	211.5
[M+HCOO]-	526.15170	227.5
[M+CH3COO]-	540.16735	239.9
[M+Na-2H]-	502.12817	210.7
[M]+	481.15295	225.3
[M]-	481.15405	225.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.16078

217.9

[M+Na]+

504.14272

223.3

[M-H]-

480.14622

223.9

[M+NH4]+

499.18732

230.0

[M+K]+

520.11666

218.4

[M+H-H2O]+

464.15076

211.5

[M+HCOO]-

526.15170

227.5

[M+CH3COO]-

540.16735

239.9

[M+Na-2H]-

502.12817

210.7

[M]+

481.15295

225.3

[M]-

481.15405

225.3

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

74296-42-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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