CID 30996

094xqe97a4

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

3
Patents

335.1497 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.156976 179.3
[M+Na]+ 358.138918 186.9
[M-H]- 334.142424 182.2
[M+NH4]+ 353.183523 194.4
[M+K]+ 374.112858 183.2
[M+H-H2O]+ 318.146960 168.8
[M+HCOO]- 380.147901 194.5
[M+CH3COO]- 394.163551 218.4
[M+Na-2H]- 356.124366 184.2
[M]+ 335.14915142 178.4
[M]- 335.15024858 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

patents stripe