CID 40642

Brn 2774014

Structural Information

Molecular Formula
C22H29NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H29NO3/c1-16(2)19-12-11-17(3)20(21(19)25-14-13-23(4)5)22(24)26-15-18-9-7-6-8-10-18/h6-12,16H,13-15H2,1-5H3
InChIKey
MQJPEILRVHPFGH-UHFFFAOYSA-N
Compound name
benzyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 189.1
[M+Na]+ 378.203968 193.7
[M-H]- 354.207474 196.6
[M+NH4]+ 373.248573 202.3
[M+K]+ 394.177908 191.8
[M+H-H2O]+ 338.212010 179.9
[M+HCOO]- 400.212951 211.0
[M+CH3COO]- 414.228601 224.0
[M+Na-2H]- 376.189416 187.9
[M]+ 355.21420142 194.9
[M]- 355.21529858 194.9
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.