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]+ 357.21728 189.3
[M+Na]+ 379.19922 192.7
[M-H]- 355.20272 195.8
[M+NH4]+ 374.24382 201.5
[M+K]+ 395.17316 190.0
[M+H-H2O]+ 339.20726 179.4
[M+HCOO]- 401.20820 212.9
[M+CH3COO]- 415.22385 223.5
[M+Na-2H]- 377.18467 189.8
[M]+ 356.20945 193.1
[M]- 356.21055 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.