CID 3630729

N,n'-methylenebis(4-ethoxyaniline)

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCOC1=CC=C(C=C1)NCNC2=CC=C(C=C2)OCC
InChI
InChI=1S/C17H22N2O2/c1-3-20-16-9-5-14(6-10-16)18-13-19-15-7-11-17(12-8-15)21-4-2/h5-12,18-19H,3-4,13H2,1-2H3
InChIKey
PBDVFKKNTLEGFI-UHFFFAOYSA-N
Compound name
N,N'-bis(4-ethoxyphenyl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 166.9
[M+Na]+ 309.157338 172.2
[M-H]- 285.160844 173.2
[M+NH4]+ 304.201943 181.9
[M+K]+ 325.131278 168.6
[M+H-H2O]+ 269.165380 158.1
[M+HCOO]- 331.166321 192.8
[M+CH3COO]- 345.181971 207.3
[M+Na-2H]- 307.142786 172.8
[M]+ 286.16757142 169.2
[M]- 286.16866858 169.2
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.