CID 120818

Dtxsid601006384

Structural Information

Molecular Formula
C24H36NO3
SMILES
CC[N+](CC)(CC)C(C)CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O
InChI
InChI=1S/C24H36NO3/c1-7-25(8-2,9-3)19(4)18-24(26,20-13-11-10-12-14-20)22-17-21(27-5)15-16-23(22)28-6/h10-17,19,26H,7-9,18H2,1-6H3/q+1
InChIKey
OVUBWWAYHOEDCA-UHFFFAOYSA-N
Compound name
[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.26953 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27681 198.2
[M+Na]+ 409.25875 201.3
[M-H]- 385.26225 204.2
[M+NH4]+ 404.30335 209.5
[M+K]+ 425.23269 192.8
[M+H-H2O]+ 369.26679 192.5
[M+HCOO]- 431.26773 216.0
[M+CH3COO]- 445.28338 219.9
[M+Na-2H]- 407.24420 203.2
[M]+ 386.26898 201.7
[M]- 386.27008 201.7
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.