CID 120395

Brn 2739495

Structural Information

Molecular Formula
C15H23FN2O
SMILES
CCC1=CC(=C(C=C1)F)NC(=O)CCN(CC)CC
InChI
InChI=1S/C15H23FN2O/c1-4-12-7-8-13(16)14(11-12)17-15(19)9-10-18(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKey
OKKHAXIWPKMLTD-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17944 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18672 164.9
[M+Na]+ 289.16866 170.1
[M-H]- 265.17216 168.1
[M+NH4]+ 284.21326 181.8
[M+K]+ 305.14260 168.0
[M+H-H2O]+ 249.17670 156.5
[M+HCOO]- 311.17764 188.3
[M+CH3COO]- 325.19329 209.0
[M+Na-2H]- 287.15411 166.3
[M]+ 266.17889 166.3
[M]- 266.17999 166.3
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.