CID 65524524

1909319-81-8

Structural Information

Molecular Formula
C15H23FN2O
SMILES
CC(C)CC(CC(=O)NCC1=CC=C(C=C1)F)CN
InChI
InChI=1S/C15H23FN2O/c1-11(2)7-13(9-17)8-15(19)18-10-12-3-5-14(16)6-4-12/h3-6,11,13H,7-10,17H2,1-2H3,(H,18,19)
InChIKey
PESFEBOIDOSQQS-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-5-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18672 166.3
[M+Na]+ 289.16866 169.9
[M-H]- 265.17216 167.3
[M+NH4]+ 284.21326 181.8
[M+K]+ 305.14260 167.1
[M+H-H2O]+ 249.17670 158.1
[M+HCOO]- 311.17764 186.6
[M+CH3COO]- 325.19329 205.6
[M+Na-2H]- 287.15411 165.6
[M]+ 266.17889 163.8
[M]- 266.17999 163.8
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.