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

12
Patents

298.16812 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 172.1
[M+Na]+ 321.157338 177.1
[M-H]- 297.160844 179.8
[M+NH4]+ 316.201943 187.1
[M+K]+ 337.131278 174.7
[M+H-H2O]+ 281.165380 163.1
[M+HCOO]- 343.166321 197.2
[M+CH3COO]- 357.181971 213.0
[M+Na-2H]- 319.142786 175.3
[M]+ 298.16757142 174.6
[M]- 298.16866858 174.6
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