CID 15001

1421-09-6

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCN(CC)CC(C)OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC
InChI
InChI=1S/C22H29NO3/c1-5-23(6-2)17-18(3)26-21(24)22(25-4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,5-6,17H2,1-4H3
InChIKey
AUNDNXRDAVZKOG-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 189.3
[M+Na]+ 378.203968 191.6
[M-H]- 354.207474 196.0
[M+NH4]+ 373.248573 201.7
[M+K]+ 394.177908 190.0
[M+H-H2O]+ 338.212010 180.1
[M+HCOO]- 400.212951 209.7
[M+CH3COO]- 414.228601 220.8
[M+Na-2H]- 376.189416 191.2
[M]+ 355.21420142 193.5
[M]- 355.21529858 193.5
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.