CID 52812

73941-37-4

Structural Information

Molecular Formula
C30H37Cl2N3O2
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.22626 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.23354 236.3
[M+Na]+ 564.21548 251.9
[M+NH4]+ 559.26008 243.3
[M+K]+ 580.18942 242.1
[M-H]- 540.21898 244.2
[M+Na-2H]- 562.20093 244.6
[M]+ 541.22571 241.5
[M]- 541.22681 241.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.