CID 408327

N,n'-bis-(4-methoxybenzyl)-ethylenediamine dihydrochloride

Structural Information

Molecular Formula
C18H24N2O2
SMILES
COC1=CC=C(C=C1)CNCCNCC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H24N2O2/c1-21-17-7-3-15(4-8-17)13-19-11-12-20-14-16-5-9-18(22-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3
InChIKey
AVHNOBYTCDKTEV-UHFFFAOYSA-N
Compound name
N,N'-bis[(4-methoxyphenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

300.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 171.4
[M+Na]+ 323.172998 176.2
[M-H]- 299.176504 177.5
[M+NH4]+ 318.217603 185.8
[M+K]+ 339.146938 172.4
[M+H-H2O]+ 283.181040 162.4
[M+HCOO]- 345.181981 196.9
[M+CH3COO]- 359.197631 210.3
[M+Na-2H]- 321.158446 176.7
[M]+ 300.18323142 174.1
[M]- 300.18432858 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe