CID 67288

4,4'-methylenebis(n,n-diethylaniline)

Structural Information

Molecular Formula
C21H30N2
SMILES
CCN(CC)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C21H30N2/c1-5-22(6-2)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)23(7-3)8-4/h9-16H,5-8,17H2,1-4H3
InChIKey
MIERBLCDXYWVTF-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

452
Patents

310.2409 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 180.3
[M+Na]+ 333.23012 184.2
[M-H]- 309.23362 188.8
[M+NH4]+ 328.27472 195.7
[M+K]+ 349.20406 181.4
[M+H-H2O]+ 293.23816 170.8
[M+HCOO]- 355.23910 205.2
[M+CH3COO]- 369.25475 221.9
[M+Na-2H]- 331.21557 182.2
[M]+ 310.24035 183.6
[M]- 310.24145 183.6
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