CID 57744

100311-18-0

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)OCC2=CC=CC=C2
InChI
InChI=1S/C22H30N2O3/c1-4-5-13-23-19-11-12-20(22(25)26-15-14-24(2)3)21(16-19)27-17-18-9-7-6-8-10-18/h6-12,16,23H,4-5,13-15,17H2,1-3H3
InChIKey
HJBIFGZXDVPQPY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-(butylamino)-2-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.22565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 193.6
[M+Na]+ 393.21487 204.4
[M+NH4]+ 388.25947 199.9
[M+K]+ 409.18881 196.8
[M-H]- 369.21837 198.3
[M+Na-2H]- 391.20032 200.4
[M]+ 370.22510 196.3
[M]- 370.22620 196.3
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.