PubChemLite - 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]+	542.23354	236.1
[M+Na]+	564.21548	241.2
[M-H]-	540.21898	245.3
[M+NH4]+	559.26008	241.7
[M+K]+	580.18942	233.2
[M+H-H2O]+	524.22352	223.0
[M+HCOO]-	586.22446	244.5
[M+CH3COO]-	600.24011	252.3
[M+Na-2H]-	562.20093	229.7
[M]+	541.22571	243.4
[M]-	541.22681	243.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

542.23354

236.1

[M+Na]+

564.21548

241.2

[M-H]-

540.21898

245.3

[M+NH4]+

559.26008

241.7

[M+K]+

580.18942

233.2

[M+H-H2O]+

524.22352

223.0

[M+HCOO]-

586.22446

244.5

[M+CH3COO]-

600.24011

252.3

[M+Na-2H]-

562.20093

229.7

[M]+

541.22571

243.4

[M]-

541.22681

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

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