CID 558255

4chcaa5odcp

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCCC)C#N)C#N
InChI
InChI=1S/C24H32N2O3/c1-3-5-7-15-28-22-13-14-23(21(17-26)20(22)16-25)29-24(27)19-11-9-18(10-12-19)8-6-4-2/h13-14,18-19H,3-12,15H2,1-2H3
InChIKey
PGEGFUGXXXMXOM-UHFFFAOYSA-N
Compound name
(2,3-dicyano-4-pentoxyphenyl) 4-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.248576 191.0
[M+Na]+ 419.230518 198.3
[M-H]- 395.234024 194.9
[M+NH4]+ 414.275123 198.5
[M+K]+ 435.204458 191.9
[M+H-H2O]+ 379.238560 174.6
[M+HCOO]- 441.239501 199.3
[M+CH3COO]- 455.255151 242.4
[M+Na-2H]- 417.215966 187.4
[M]+ 396.24075142 184.5
[M]- 396.24184858 184.5
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.