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 184.1
[M+Na]+ 367.21178 188.6
[M-H]- 343.21528 190.6
[M+NH4]+ 362.25638 197.1
[M+K]+ 383.18572 180.7
[M+H-H2O]+ 327.21982 179.0
[M+HCOO]- 389.22076 203.0
[M+CH3COO]- 403.23641 211.0
[M+Na-2H]- 365.19723 190.7
[M]+ 344.22201 186.6
[M]- 344.22311 186.6
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.