CID 3243284

64261-07-0

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C18H22N2O2/c1-4-22-18(21)15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2)3/h5-12,19H,4,13H2,1-3H3
InChIKey
PFRXJEDCOMKDBZ-UHFFFAOYSA-N
Compound name
ethyl 4-[[4-(dimethylamino)phenyl]methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

298.16812 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.7
[M+Na]+ 321.15734 184.9
[M+NH4]+ 316.20194 180.3
[M+K]+ 337.13128 177.6
[M-H]- 297.16084 178.1
[M+Na-2H]- 319.14279 181.1
[M]+ 298.16757 175.9
[M]- 298.16867 175.9
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