CID 3038992

F 1232

Structural Information

Molecular Formula
C23H19NO3
SMILES
C#CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C23H19NO3/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/h1,3-16H,17-18H2
InChIKey
IQFBUINWQVVVQO-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2,2-diphenyl-2-prop-2-ynoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 193.2
[M+Na]+ 380.12572 200.3
[M-H]- 356.12922 196.8
[M+NH4]+ 375.17032 201.2
[M+K]+ 396.09966 192.1
[M+H-H2O]+ 340.13376 176.4
[M+HCOO]- 402.13470 206.4
[M+CH3COO]- 416.15035 216.5
[M+Na-2H]- 378.11117 196.0
[M]+ 357.13595 188.1
[M]- 357.13705 188.1
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.