CID 3710048

2-(2,4-ditert-pentylphenoxy)pentanamide

Structural Information

Molecular Formula
C21H35NO2
SMILES
CCCC(C(=O)N)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C21H35NO2/c1-8-11-18(19(22)23)24-17-13-12-15(20(4,5)9-2)14-16(17)21(6,7)10-3/h12-14,18H,8-11H2,1-7H3,(H2,22,23)
InChIKey
GPJOCTSYUYFQBP-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

333.26678 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.27406 186.0
[M+Na]+ 356.25600 189.8
[M-H]- 332.25950 188.3
[M+NH4]+ 351.30060 199.8
[M+K]+ 372.22994 187.3
[M+H-H2O]+ 316.26404 179.6
[M+HCOO]- 378.26498 202.4
[M+CH3COO]- 392.28063 219.7
[M+Na-2H]- 354.24145 185.2
[M]+ 333.26623 189.3
[M]- 333.26733 189.3
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

patents stripe