CID 57824

Win 3415

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CN(C)CCOC(=O)C1=C(C=C(C=C1)N)OCC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O3/c1-20(2)10-11-22-18(21)16-9-8-15(19)12-17(16)23-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13,19H2,1-2H3
InChIKey
MNBPNGONOBVZLE-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-amino-2-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 175.6
[M+Na]+ 337.15228 180.4
[M-H]- 313.15578 182.8
[M+NH4]+ 332.19688 189.6
[M+K]+ 353.12622 178.4
[M+H-H2O]+ 297.16032 166.4
[M+HCOO]- 359.16126 200.3
[M+CH3COO]- 373.17691 214.6
[M+Na-2H]- 335.13773 177.8
[M]+ 314.16251 178.5
[M]- 314.16361 178.5
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

patents stripe