CID 212676

Acetic acid, diphenyl-, 4-(dibutylamino)-2-butynyl ester, 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]+ 392.258406 204.0
[M+Na]+ 414.240348 208.1
[M-H]- 390.243854 207.1
[M+NH4]+ 409.284953 213.3
[M+K]+ 430.214288 201.1
[M+H-H2O]+ 374.248390 188.1
[M+HCOO]- 436.249331 218.6
[M+CH3COO]- 450.264981 230.4
[M+Na-2H]- 412.225796 201.5
[M]+ 391.25058142 201.5
[M]- 391.25167858 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.