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 193.3
[M+Na]+ 393.21487 196.3
[M-H]- 369.21837 200.1
[M+NH4]+ 388.25947 205.2
[M+K]+ 409.18881 193.7
[M+H-H2O]+ 353.22291 183.2
[M+HCOO]- 415.22385 217.2
[M+CH3COO]- 429.23950 227.0
[M+Na-2H]- 391.20032 194.4
[M]+ 370.22510 198.5
[M]- 370.22620 198.5
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

No patent data available for this compound.