CID 3038988

F 1231

Structural Information

Molecular Formula
C23H23NO3
SMILES
CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C23H23NO3/c1-2-17-27-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)22(25)26-18-21-15-9-10-16-24-21/h3-16H,2,17-18H2,1H3
InChIKey
XLVDVHNOKAELRD-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2,2-diphenyl-2-propoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17508 188.9
[M+Na]+ 384.15702 192.8
[M-H]- 360.16052 196.0
[M+NH4]+ 379.20162 198.6
[M+K]+ 400.13096 188.2
[M+H-H2O]+ 344.16506 177.9
[M+HCOO]- 406.16600 208.1
[M+CH3COO]- 420.18165 213.2
[M+Na-2H]- 382.14247 194.1
[M]+ 361.16725 190.8
[M]- 361.16835 190.8
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

No patent data available for this compound.