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]+ 362.26898 178.7
[M+Na]+ 384.25092 180.2
[M-H]- 360.25442 180.7
[M+NH4]+ 379.29552 184.6
[M+K]+ 400.22486 180.2
[M+H-H2O]+ 344.25896 173.8
[M+HCOO]- 406.25990 185.5
[M+CH3COO]- 420.27555 237.3
[M+Na-2H]- 382.23637 175.5
[M]+ 361.26115 177.3
[M]- 361.26225 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.