CID 40223

Endobenzyline bromide

Structural Information

Molecular Formula
C20H28NO3
SMILES
C[N+](C)(C)CCOC(=O)C(C1CC2CC1C=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H28NO3/c1-21(2,3)11-12-24-19(22)20(23,17-7-5-4-6-8-17)18-14-15-9-10-16(18)13-15/h4-10,15-16,18,23H,11-14H2,1-3H3/q+1
InChIKey
TVEJJYBKWFNIQS-UHFFFAOYSA-N
Compound name
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxy-2-phenylacetyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

330.2069 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21418 182.3
[M+Na]+ 353.19612 185.9
[M-H]- 329.19962 188.1
[M+NH4]+ 348.24072 200.7
[M+K]+ 369.17006 177.7
[M+H-H2O]+ 313.20416 179.7
[M+HCOO]- 375.20510 200.0
[M+CH3COO]- 389.22075 204.6
[M+Na-2H]- 351.18157 188.0
[M]+ 330.20635 182.8
[M]- 330.20745 182.8
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

patents stripe