CID 7567

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

Structural Information

Molecular Formula
C17H22N2
SMILES
CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
InChIKey
JNRLEMMIVRBKJE-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

36
References

10989
Patents

254.1783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.6
[M+Na]+ 277.167518 167.3
[M-H]- 253.171024 170.9
[M+NH4]+ 272.212123 179.4
[M+K]+ 293.141458 165.4
[M+H-H2O]+ 237.175560 153.0
[M+HCOO]- 299.176501 188.0
[M+CH3COO]- 313.192151 210.0
[M+Na-2H]- 275.152966 165.8
[M]+ 254.17775142 163.6
[M]- 254.17884858 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