CID 9578700

Brn 4734577

Structural Information

Molecular Formula
C16H21F3N2O2
SMILES
C/C(=N\OCCN1CCOCC1)/CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C16H21F3N2O2/c1-13(20-23-10-7-21-5-8-22-9-6-21)11-14-3-2-4-15(12-14)16(17,18)19/h2-4,12H,5-11H2,1H3/b20-13+
InChIKey
LXJUXPADDBNCCM-DEDYPNTBSA-N
Compound name
(E)-N-(2-morpholin-4-ylethoxy)-1-[3-(trifluoromethyl)phenyl]propan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15552 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16280 177.2
[M+Na]+ 353.14474 181.1
[M-H]- 329.14824 179.0
[M+NH4]+ 348.18934 188.2
[M+K]+ 369.11868 178.9
[M+H-H2O]+ 313.15278 165.3
[M+HCOO]- 375.15372 191.6
[M+CH3COO]- 389.16937 211.6
[M+Na-2H]- 351.13019 179.8
[M]+ 330.15497 172.7
[M]- 330.15607 172.7
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.