CID 3042850

Sl a-373

Structural Information

Molecular Formula
C30H37F2N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCN(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C30H37F2N3O/c1-22-7-5-8-23(2)30(22)33-29(36)21-35(4)20-19-34(3)18-6-9-28(24-10-14-26(31)15-11-24)25-12-16-27(32)17-13-25/h5,7-8,10-17,28H,6,9,18-21H2,1-4H3,(H,33,36)
InChIKey
KXTQQIWRNNAYGV-UHFFFAOYSA-N
Compound name
2-[2-[4,4-bis(4-fluorophenyl)butyl-methylamino]ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.29047 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.29775 226.1
[M+Na]+ 516.27969 235.9
[M+NH4]+ 511.32429 230.9
[M+K]+ 532.25363 227.3
[M-H]- 492.28319 231.1
[M+Na-2H]- 514.26514 232.8
[M]+ 493.28992 228.7
[M]- 493.29102 228.7
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.