CID 57094

96459-41-5

Structural Information

Molecular Formula
C24H31NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC3=C(CCCC3)C=C2)O
InChI
InChI=1S/C24H31NO3/c1-3-25(4-2)16-17-28-23(26)24(27,21-12-6-5-7-13-21)22-15-14-19-10-8-9-11-20(19)18-22/h5-7,12-15,18,27H,3-4,8-11,16-17H2,1-2H3
InChIKey
BRQMWPQJCVLFKW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 194.6
[M+Na]+ 404.21962 195.9
[M-H]- 380.22312 200.0
[M+NH4]+ 399.26422 206.1
[M+K]+ 420.19356 192.3
[M+H-H2O]+ 364.22766 185.4
[M+HCOO]- 426.22860 210.5
[M+CH3COO]- 440.24425 223.0
[M+Na-2H]- 402.20507 196.9
[M]+ 381.22985 194.3
[M]- 381.23095 194.3
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.