PubChemLite - 102132-37-6 (C24H37N3O4)

Structural Information

Molecular Formula

SMILES

CC1(CC(C(N1)(C)C)C(=O)NCCCNC(=O)COC2=C(C=C(C=C2)CC=C)OC)C

InChI

InChI=1S/C24H37N3O4/c1-7-9-17-10-11-19(20(14-17)30-6)31-16-21(28)25-12-8-13-26-22(29)18-15-23(2,3)27-24(18,4)5/h7,10-11,14,18,27H,1,8-9,12-13,15-16H2,2-6H3,(H,25,28)(H,26,29)

InChIKey

XBXRACPNSPQXPL-UHFFFAOYSA-N

Compound name

N-[3-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

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]+	432.28568	203.9
[M+Na]+	454.26762	207.3
[M-H]-	430.27112	207.0
[M+NH4]+	449.31222	216.9
[M+K]+	470.24156	203.5
[M+H-H2O]+	414.27566	197.0
[M+HCOO]-	476.27660	221.4
[M+CH3COO]-	490.29225	233.0
[M+Na-2H]-	452.25307	201.6
[M]+	431.27785	206.3
[M]-	431.27895	206.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.28568

203.9

[M+Na]+

454.26762

207.3

[M-H]-

430.27112

207.0

[M+NH4]+

449.31222

216.9

[M+K]+

470.24156

203.5

[M+H-H2O]+

414.27566

197.0

[M+HCOO]-

476.27660

221.4

[M+CH3COO]-

490.29225

233.0

[M+Na-2H]-

452.25307

201.6

[M]+

431.27785

206.3

[M]-

431.27895

206.3

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

102132-37-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe