CID 3043150

Brn 2181207

Structural Information

Molecular Formula
C18H19F3N2O3
SMILES
COC(=O)C1=CC=CC=C1NCC(CNC2=CC=CC(=C2)C(F)(F)F)O
InChI
InChI=1S/C18H19F3N2O3/c1-26-17(25)15-7-2-3-8-16(15)23-11-14(24)10-22-13-6-4-5-12(9-13)18(19,20)21/h2-9,14,22-24H,10-11H2,1H3
InChIKey
FPTICDPWCGLHMJ-UHFFFAOYSA-N
Compound name
methyl 2-[[2-hydroxy-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.13477 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14205 183.1
[M+Na]+ 391.12399 187.7
[M-H]- 367.12749 184.0
[M+NH4]+ 386.16859 193.6
[M+K]+ 407.09793 183.5
[M+H-H2O]+ 351.13203 172.1
[M+HCOO]- 413.13297 200.6
[M+CH3COO]- 427.14862 218.2
[M+Na-2H]- 389.10944 184.6
[M]+ 368.13422 179.3
[M]- 368.13532 179.3
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.