CID 30996

N,n-dimethyl-3-(2-(trifluoromethyl)-9h-xanthen-9-yl)-1-propanamine

Structural Information

Molecular Formula
C19H20F3NO
SMILES
CN(C)CCCC1C2=CC=CC=C2OC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3NO/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6,8-10,12,14H,5,7,11H2,1-2H3
InChIKey
WRNDGAGUUNVEEO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[2-(trifluoromethyl)-9H-xanthen-9-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.1497 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15698 179.3
[M+Na]+ 358.13892 186.9
[M-H]- 334.14242 182.2
[M+NH4]+ 353.18352 194.4
[M+K]+ 374.11286 183.2
[M+H-H2O]+ 318.14696 168.8
[M+HCOO]- 380.14790 194.5
[M+CH3COO]- 394.16355 218.4
[M+Na-2H]- 356.12437 184.2
[M]+ 335.14915 178.4
[M]- 335.15025 178.4
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.