CID 20119898

1-n-benzyl-1-n-methylbenzene-1,4-diamine

Structural Information

Molecular Formula
C14H16N2
SMILES
CN(CC1=CC=CC=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3
InChIKey
IHDXFVHLQONBFX-UHFFFAOYSA-N
Compound name
4-N-benzyl-4-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.13135 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 149.3
[M+Na]+ 235.12057 163.1
[M+NH4]+ 230.16517 159.1
[M+K]+ 251.09451 154.9
[M-H]- 211.12407 156.2
[M+Na-2H]- 233.10602 160.0
[M]+ 212.13080 153.3
[M]- 212.13190 153.3
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