CID 25977

Iem 525

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCCC(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)N(CC)CC
InChI
InChI=1S/C23H31NO2/c1-4-13-21(24(5-2)6-3)18-26-23(25)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21-22H,4-6,13,18H2,1-3H3
InChIKey
YRCMDPXFUGMVCX-UHFFFAOYSA-N
Compound name
2-(diethylamino)pentyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 192.2
[M+Na]+ 376.224688 193.4
[M-H]- 352.228194 198.3
[M+NH4]+ 371.269293 204.4
[M+K]+ 392.198628 190.8
[M+H-H2O]+ 336.232730 182.4
[M+HCOO]- 398.233671 212.5
[M+CH3COO]- 412.249321 222.2
[M+Na-2H]- 374.210136 191.2
[M]+ 353.23492142 195.0
[M]- 353.23601858 195.0
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.