CID 54181

Brn 3480028

Structural Information

Molecular Formula
C30H54N2O3
SMILES
CCCCN(CCCC)CCCOCC1=CC=C(C=C1)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C30H54N2O3/c1-5-9-19-31(20-10-6-2)23-13-25-34-27-28-15-17-29(18-16-28)30(33)35-26-14-24-32(21-11-7-3)22-12-8-4/h15-18H,5-14,19-27H2,1-4H3
InChIKey
BPCBFHJFGFDZBF-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propyl 4-[3-(dibutylamino)propoxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.41345 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.42073 233.0
[M+Na]+ 513.40267 239.0
[M+NH4]+ 508.44727 236.8
[M+K]+ 529.37661 230.3
[M-H]- 489.40617 234.5
[M+Na-2H]- 511.38812 234.0
[M]+ 490.41290 233.9
[M]- 490.41400 233.9
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.