CID 57822

Win 3712

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)OCC2=CC=CC=C2
InChI
InChI=1S/C21H28N2O3/c1-3-23(4-2)13-8-14-25-21(24)19-12-11-18(22)15-20(19)26-16-17-9-6-5-7-10-17/h5-7,9-12,15H,3-4,8,13-14,16,22H2,1-2H3
InChIKey
OLFCANPWYBECRH-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-amino-2-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 189.3
[M+Na]+ 379.199218 192.7
[M-H]- 355.202724 195.8
[M+NH4]+ 374.243823 201.5
[M+K]+ 395.173158 190.0
[M+H-H2O]+ 339.207260 179.4
[M+HCOO]- 401.208201 212.9
[M+CH3COO]- 415.223851 223.5
[M+Na-2H]- 377.184666 189.8
[M]+ 356.20945142 193.1
[M]- 356.21054858 193.1
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.