CID 3044882

Brn 0455327

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CCCCOC1=CC(=CC(=N1)OCCCC)C(=O)N(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C26H36N2O3/c1-3-5-17-30-24-19-21(20-25(27-24)31-18-6-4-2)26(29)28(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7,9-10,13-14,19-20,23H,3-6,8,11-12,15-18H2,1-2H3
InChIKey
DCFOIXAURLBLQN-UHFFFAOYSA-N
Compound name
2,6-dibutoxy-N-cyclohexyl-N-phenylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.27258 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 207.9
[M+Na]+ 447.26180 208.0
[M-H]- 423.26530 214.9
[M+NH4]+ 442.30640 215.5
[M+K]+ 463.23574 204.3
[M+H-H2O]+ 407.26984 195.6
[M+HCOO]- 469.27078 225.0
[M+CH3COO]- 483.28643 233.2
[M+Na-2H]- 445.24725 206.2
[M]+ 424.27203 208.5
[M]- 424.27313 208.5
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.