CID 3076210

Brn 4758018

Structural Information

Molecular Formula
C24H37NO3
SMILES
CCCCCCN(CCCCCC)CC#CCOC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C24H37NO3/c1-4-6-8-12-18-25(19-13-9-7-5-2)20-14-15-21-28-24(26)22-16-10-11-17-23(22)27-3/h10-11,16-17H,4-9,12-13,18-21H2,1-3H3
InChIKey
DMQDYOURJHSXEI-UHFFFAOYSA-N
Compound name
4-(dihexylamino)but-2-ynyl 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.27734 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.28462 197.0
[M+Na]+ 410.26656 201.4
[M-H]- 386.27006 198.1
[M+NH4]+ 405.31116 207.5
[M+K]+ 426.24050 196.8
[M+H-H2O]+ 370.27460 182.2
[M+HCOO]- 432.27554 212.4
[M+CH3COO]- 446.29119 231.1
[M+Na-2H]- 408.25201 194.5
[M]+ 387.27679 198.9
[M]- 387.27789 198.9
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.