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]+ 317.20122 178.1
[M+Na]+ 339.18316 182.4
[M-H]- 315.18666 188.5
[M+NH4]+ 334.22776 191.9
[M+K]+ 355.15710 177.8
[M+H-H2O]+ 299.19120 168.0
[M+HCOO]- 361.19214 202.5
[M+CH3COO]- 375.20779 218.1
[M+Na-2H]- 337.16861 181.7
[M]+ 316.19339 177.2
[M]- 316.19449 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.