CID 16778625

N-(5-amino-2-fluorophenyl)-3-(morpholin-4-yl)propanamide

Structural Information

Molecular Formula
C13H18FN3O2
SMILES
C1COCCN1CCC(=O)NC2=C(C=CC(=C2)N)F
InChI
InChI=1S/C13H18FN3O2/c14-11-2-1-10(15)9-12(11)16-13(18)3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18)
InChIKey
NIQZAFMCSRPJOO-UHFFFAOYSA-N
Compound name
N-(5-amino-2-fluorophenyl)-3-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14558 162.1
[M+Na]+ 290.12752 166.4
[M-H]- 266.13102 165.5
[M+NH4]+ 285.17212 174.6
[M+K]+ 306.10146 164.1
[M+H-H2O]+ 250.13556 152.3
[M+HCOO]- 312.13650 180.2
[M+CH3COO]- 326.15215 200.7
[M+Na-2H]- 288.11297 165.0
[M]+ 267.13775 156.4
[M]- 267.13885 156.4
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.