CID 26902

Brn 2129577

Structural Information

Molecular Formula
C15H23FN2O
SMILES
CC(C)C(CCN(C)C)(C1=CC=C(C=C1)F)C(=O)N
InChI
InChI=1S/C15H23FN2O/c1-11(2)15(14(17)19,9-10-18(3)4)12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,19)
InChIKey
BLJPVFQYJQVYRF-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17944 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18672 164.5
[M+Na]+ 289.16866 169.0
[M-H]- 265.17216 167.2
[M+NH4]+ 284.21326 180.9
[M+K]+ 305.14260 167.6
[M+H-H2O]+ 249.17670 156.8
[M+HCOO]- 311.17764 184.8
[M+CH3COO]- 325.19329 209.1
[M+Na-2H]- 287.15411 165.3
[M]+ 266.17889 163.5
[M]- 266.17999 163.5
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.