CID 585976

1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C16H20N2O2
SMILES
COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OC)N)N
InChI
InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3
InChIKey
ZWMPRHYHRAUVGY-UHFFFAOYSA-N
Compound name
1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

247
Patents

272.15247 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 164.9
[M+Na]+ 295.141688 170.0
[M-H]- 271.145194 170.5
[M+NH4]+ 290.186293 179.8
[M+K]+ 311.115628 167.2
[M+H-H2O]+ 255.149730 156.7
[M+HCOO]- 317.150671 187.8
[M+CH3COO]- 331.166321 205.0
[M+Na-2H]- 293.127136 166.6
[M]+ 272.15192142 163.6
[M]- 272.15301858 163.6
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