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

1
Patents

351.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.190716 193.7
[M+Na]+ 374.172658 199.3
[M-H]- 350.176164 196.5
[M+NH4]+ 369.217263 203.9
[M+K]+ 390.146598 193.4
[M+H-H2O]+ 334.180700 179.0
[M+HCOO]- 396.181641 207.8
[M+CH3COO]- 410.197291 219.1
[M+Na-2H]- 372.158106 194.3
[M]+ 351.18289142 189.5
[M]- 351.18398858 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

patents stripe