CID 24837215

102702-15-8

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCCCCC2)O
InChI
InChI=1S/C22H35NO3/c1-3-23(4-2)17-18-26-21(24)20(19-13-9-8-10-14-19)22(25)15-11-6-5-7-12-16-22/h8-10,13-14,20,25H,3-7,11-12,15-18H2,1-2H3
InChIKey
VHBBACXVDCNVAV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(1-hydroxycyclooctyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.268976 178.7
[M+Na]+ 384.250918 180.2
[M-H]- 360.254424 180.7
[M+NH4]+ 379.295523 184.6
[M+K]+ 400.224858 180.2
[M+H-H2O]+ 344.258960 173.8
[M+HCOO]- 406.259901 185.5
[M+CH3COO]- 420.275551 237.3
[M+Na-2H]- 382.236366 175.5
[M]+ 361.26115142 177.3
[M]- 361.26224858 177.3
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.