CID 30641

Acetic acid, diphenyl-, 2-(cyclohexylmethylamino)ethyl ester

Structural Information

Molecular Formula
C23H29NO2
SMILES
CN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C23H29NO2/c1-24(21-15-9-4-10-16-21)17-18-26-23(25)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-22H,4,9-10,15-18H2,1H3
InChIKey
MAQJVEYKBVRPRR-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(methyl)amino]ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 187.8
[M+Na]+ 374.209038 187.3
[M-H]- 350.212544 196.2
[M+NH4]+ 369.253643 199.3
[M+K]+ 390.182978 184.2
[M+H-H2O]+ 334.217080 177.2
[M+HCOO]- 396.218021 206.1
[M+CH3COO]- 410.233671 218.3
[M+Na-2H]- 372.194486 187.6
[M]+ 351.21927142 184.1
[M]- 351.22036858 184.1
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.