73941-37-4 (C30H37Cl2N3O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCN2CC3=CC=CC=C3OC)CC4=CC=CC=C4OC

InChI

InChI=1S/C30H37Cl2N3O2/c1-23-20-26(33(16-14-31)17-15-32)12-13-27(23)30-34(21-24-8-4-6-10-28(24)36-2)18-19-35(30)22-25-9-5-7-11-29(25)37-3/h4-13,20,30H,14-19,21-22H2,1-3H3

InChIKey

JYJDEZUHXBPMJR-UHFFFAOYSA-N

Compound name

4-[1,3-bis[(2-methoxyphenyl)methyl]imidazolidin-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline

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]+	542.233536	236.1
[M+Na]+	564.215478	241.2
[M-H]-	540.218984	245.3
[M+NH4]+	559.260083	241.7
[M+K]+	580.189418	233.2
[M+H-H2O]+	524.223520	223.0
[M+HCOO]-	586.224461	244.5
[M+CH3COO]-	600.240111	252.3
[M+Na-2H]-	562.200926	229.7
[M]+	541.22571142	243.4
[M]-	541.22680858	243.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

542.233536

236.1

[M+Na]+

564.215478

241.2

[M-H]-

540.218984

245.3

[M+NH4]+

559.260083

241.7

[M+K]+

580.189418

233.2

[M+H-H2O]+

524.223520

223.0

[M+HCOO]-

586.224461

244.5

[M+CH3COO]-

600.240111

252.3

[M+Na-2H]-

562.200926

229.7

[M]+

541.22571142

243.4

[M]-

541.22680858

243.4

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

73941-37-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe