CID 59593952

925246-00-0

Structural Information

Molecular Formula
C23H31N3O4
SMILES
CN(C)C1=CC=C(C=C1)C(=O)OCCN(C)CCOC(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C23H31N3O4/c1-24(2)20-10-6-18(7-11-20)22(27)29-16-14-26(5)15-17-30-23(28)19-8-12-21(13-9-19)25(3)4/h6-13H,14-17H2,1-5H3
InChIKey
LKOQTCXPJVIMFO-UHFFFAOYSA-N
Compound name
2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

413.23145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.23873 201.4
[M+Na]+ 436.22067 210.3
[M+NH4]+ 431.26527 206.4
[M+K]+ 452.19461 205.3
[M-H]- 412.22417 205.9
[M+Na-2H]- 434.20612 207.4
[M]+ 413.23090 203.6
[M]- 413.23200 203.6
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