CID 48678

Ro 2-3128

Structural Information

Molecular Formula
C23H25N2O2
SMILES
C[N+](C)(C)CC1=C(C=CC=N1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25N2O2/c1-25(2,3)17-20-21(15-10-16-24-20)27-23(26)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/q+1
InChIKey
FEWYIWLZGWQXAW-UHFFFAOYSA-N
Compound name
[3-(2,2-diphenylacetyl)oxypyridin-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1916 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19888 189.9
[M+Na]+ 384.18082 193.7
[M-H]- 360.18432 198.9
[M+NH4]+ 379.22542 200.2
[M+K]+ 400.15476 184.0
[M+H-H2O]+ 344.18886 181.7
[M+HCOO]- 406.18980 209.8
[M+CH3COO]- 420.20545 213.7
[M+Na-2H]- 382.16627 196.5
[M]+ 361.19105 189.7
[M]- 361.19215 189.7
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.