CID 175667777

2chcaa5odcp

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CC)C#N)C#N
InChI
InChI=1S/C22H28N2O3/c1-3-5-6-13-26-20-11-12-21(19(15-24)18(20)14-23)27-22(25)17-9-7-16(4-2)8-10-17/h11-12,16-17H,3-10,13H2,1-2H3
InChIKey
GXJNZOMQMQBDEQ-UHFFFAOYSA-N
Compound name
(2,3-dicyano-4-pentoxyphenyl) 4-ethylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 185.9
[M+Na]+ 391.19922 193.8
[M-H]- 367.20272 190.0
[M+NH4]+ 386.24382 194.2
[M+K]+ 407.17316 187.7
[M+H-H2O]+ 351.20726 169.8
[M+HCOO]- 413.20820 194.7
[M+CH3COO]- 427.22385 238.6
[M+Na-2H]- 389.18467 182.9
[M]+ 368.20945 179.0
[M]- 368.21055 179.0
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.