CID 3042852

Sl b-049

Structural Information

Molecular Formula
C31H39F2N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCCN(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C31H39F2N3O/c1-23-8-5-9-24(2)31(23)34-30(37)22-36(4)21-7-20-35(3)19-6-10-29(25-11-15-27(32)16-12-25)26-13-17-28(33)18-14-26/h5,8-9,11-18,29H,6-7,10,19-22H2,1-4H3,(H,34,37)
InChIKey
FKPXWRJZOPMLPP-UHFFFAOYSA-N
Compound name
2-[3-[4,4-bis(4-fluorophenyl)butyl-methylamino]propyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.30612 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.31340 232.7
[M+Na]+ 530.29534 234.0
[M-H]- 506.29884 240.5
[M+NH4]+ 525.33994 238.9
[M+K]+ 546.26928 229.0
[M+H-H2O]+ 490.30338 218.5
[M+HCOO]- 552.30432 252.4
[M+CH3COO]- 566.31997 261.5
[M+Na-2H]- 528.28079 227.3
[M]+ 507.30557 234.0
[M]- 507.30667 234.0
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.