CID 4918064

14943-53-4

Structural Information

Molecular Formula
C22H25NO3
SMILES
CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H25NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,25H,3-4,17-18H2,1-2H3
InChIKey
YGGLNZUXAWIXQH-UHFFFAOYSA-N
Compound name
4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 193.7
[M+Na]+ 374.17266 199.3
[M-H]- 350.17616 196.5
[M+NH4]+ 369.21726 203.9
[M+K]+ 390.14660 193.4
[M+H-H2O]+ 334.18070 179.0
[M+HCOO]- 396.18164 207.8
[M+CH3COO]- 410.19729 219.1
[M+Na-2H]- 372.15811 194.3
[M]+ 351.18289 189.5
[M]- 351.18399 189.5
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.