CID 71091427

Schembl14162008

Structural Information

Molecular Formula
C22H24N2
SMILES
CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C22H24N2/c1-23-20-13-9-18(10-14-20)22(17-7-5-4-6-8-17)19-11-15-21(16-12-19)24(2)3/h4-16,22-23H,1-3H3
InChIKey
MCEWFWVFARJELO-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

316.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.201216 178.1
[M+Na]+ 339.183158 182.4
[M-H]- 315.186664 188.5
[M+NH4]+ 334.227763 191.9
[M+K]+ 355.157098 177.8
[M+H-H2O]+ 299.191200 168.0
[M+HCOO]- 361.192141 202.5
[M+CH3COO]- 375.207791 218.1
[M+Na-2H]- 337.168606 181.7
[M]+ 316.19339142 177.2
[M]- 316.19448858 177.2
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