CID 48330

66902-94-1

Structural Information

Molecular Formula
C27H34NO2
SMILES
CC[N+](C)(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C27H34NO2/c1-4-28(3,5-2)21-14-22-30-26-20-13-12-19-25(26)27(29,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-13,15-20,29H,4-5,14,21-22H2,1-3H3/q+1
InChIKey
WCXKMNCMJGETJS-UHFFFAOYSA-N
Compound name
diethyl-[3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.25894 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26622 204.5
[M+Na]+ 427.24816 206.8
[M-H]- 403.25166 212.8
[M+NH4]+ 422.29276 214.0
[M+K]+ 443.22210 195.8
[M+H-H2O]+ 387.25620 196.9
[M+HCOO]- 449.25714 223.1
[M+CH3COO]- 463.27279 220.9
[M+Na-2H]- 425.23361 211.6
[M]+ 404.25839 204.9
[M]- 404.25949 204.9
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.