CID 83656

4,4'-methylenebis(2,6-diethylaniline)

Structural Information

Molecular Formula
C21H30N2
SMILES
CCC1=CC(=CC(=C1N)CC)CC2=CC(=C(C(=C2)CC)N)CC
InChI
InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3
InChIKey
NWIVYGKSHSJHEF-UHFFFAOYSA-N
Compound name
4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9469
Patents

310.2409 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 180.9
[M+Na]+ 333.23012 188.4
[M-H]- 309.23362 187.0
[M+NH4]+ 328.27472 195.9
[M+K]+ 349.20406 182.3
[M+H-H2O]+ 293.23816 172.9
[M+HCOO]- 355.23910 203.5
[M+CH3COO]- 369.25475 218.9
[M+Na-2H]- 331.21557 179.3
[M]+ 310.24035 181.4
[M]- 310.24145 181.4
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