CID 161688

31037-84-0

Structural Information

Molecular Formula
C27H37Cl2NO3
SMILES
CCC(C(=O)NC1=CC(=C(C(=C1O)Cl)C)Cl)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C27H37Cl2NO3/c1-9-21(25(32)30-20-15-19(28)16(4)23(29)24(20)31)33-22-13-12-17(26(5,6)10-2)14-18(22)27(7,8)11-3/h12-15,21,31H,9-11H2,1-8H3,(H,30,32)
InChIKey
GRPPLTVZUQVNQK-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

289
Patents

493.21506 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.22234 225.0
[M+Na]+ 516.20428 237.1
[M+NH4]+ 511.24888 230.2
[M+K]+ 532.17822 229.9
[M-H]- 492.20778 227.1
[M+Na-2H]- 514.18973 228.6
[M]+ 493.21451 228.1
[M]- 493.21561 228.1
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