CID 3049187

Brn 0551822

Structural Information

Molecular Formula
C14H17F3N2O2
SMILES
C1COCCN1CCNC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H17F3N2O2/c15-14(16,17)12-3-1-11(2-4-12)13(20)18-5-6-19-7-9-21-10-8-19/h1-4H,5-10H2,(H,18,20)
InChIKey
SDQAYFQPHSXEJS-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13148 168.0
[M+Na]+ 325.11342 172.3
[M-H]- 301.11692 168.8
[M+NH4]+ 320.15802 179.4
[M+K]+ 341.08736 169.8
[M+H-H2O]+ 285.12146 156.8
[M+HCOO]- 347.12240 181.6
[M+CH3COO]- 361.13805 203.1
[M+Na-2H]- 323.09887 171.2
[M]+ 302.12365 161.0
[M]- 302.12475 161.0
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

patents stripe