CID 125802

P 1439

Structural Information

Molecular Formula
C14H22FN3O2
SMILES
CCN(CC)CCNC(=O)C1=C(C(=CC(=C1)N)F)OC
InChI
InChI=1S/C14H22FN3O2/c1-4-18(5-2)7-6-17-14(19)11-8-10(16)9-12(15)13(11)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKey
QBGBDMAPOBFHTN-UHFFFAOYSA-N
Compound name
5-amino-N-[2-(diethylamino)ethyl]-3-fluoro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.16962 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17690 167.4
[M+Na]+ 306.15884 173.0
[M-H]- 282.16234 170.6
[M+NH4]+ 301.20344 183.2
[M+K]+ 322.13278 171.5
[M+H-H2O]+ 266.16688 158.7
[M+HCOO]- 328.16782 191.7
[M+CH3COO]- 342.18347 213.9
[M+Na-2H]- 304.14429 167.9
[M]+ 283.16907 168.5
[M]- 283.17017 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.