CID 14192

1099-73-6

Structural Information

Molecular Formula
C21H30NO3
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C
InChI
InChI=1S/C21H30NO3/c1-16(22(2,3)4)15-21(23,17-10-8-7-9-11-17)19-14-18(24-5)12-13-20(19)25-6/h7-14,16,23H,15H2,1-6H3/q+1
InChIKey
PJWOTFYKAKDPKV-UHFFFAOYSA-N
Compound name
[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.22256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22984 183.0
[M+Na]+ 367.21178 196.8
[M+NH4]+ 362.25638 191.1
[M+K]+ 383.18572 191.4
[M-H]- 343.21528 188.3
[M+Na-2H]- 365.19723 191.7
[M]+ 344.22201 187.1
[M]- 344.22311 187.1
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.