CID 212676

4-(dibutylamino)-2-butynyl diphenylacetate maleate (1:1)

Structural Information

Molecular Formula
C26H33NO2
SMILES
CCCCN(CCCC)CC#CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C26H33NO2/c1-3-5-19-27(20-6-4-2)21-13-14-22-29-26(28)25(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,25H,3-6,19-22H2,1-2H3
InChIKey
HCIJAHAZXNDJSA-UHFFFAOYSA-N
Compound name
4-(dibutylamino)but-2-ynyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.25113 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25841 204.0
[M+Na]+ 414.24035 208.1
[M-H]- 390.24385 207.1
[M+NH4]+ 409.28495 213.3
[M+K]+ 430.21429 201.1
[M+H-H2O]+ 374.24839 188.1
[M+HCOO]- 436.24933 218.6
[M+CH3COO]- 450.26498 230.4
[M+Na-2H]- 412.22580 201.5
[M]+ 391.25058 201.5
[M]- 391.25168 201.5
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.