CID 72136

Trifluomeprazine

Structural Information

Molecular Formula

C₁₉H₂₁F₃N₂S

SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)CN(C)C

InChI

InChI=1S/C19H21F3N2S/c1-13(11-23(2)3)12-24-15-6-4-5-7-17(15)25-18-9-8-14(10-16(18)24)19(20,21)22/h4-10,13H,11-12H2,1-3H3

InChIKey

ILBBYVOOXMPNTM-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 169
Patents: 366.13776 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	367.145036	182.8
[M+Na]+	389.126978	189.9
[M-H]-	365.130484	183.3
[M+NH4]+	384.171583	197.0
[M+K]+	405.100918	184.4
[M+H-H2O]+	349.135020	172.1
[M+HCOO]-	411.135961	191.3
[M+CH3COO]-	425.151611	223.1
[M+Na-2H]-	387.112426	184.3
[M]+	366.13721142	182.4
[M]-	366.13830858	182.4

Literature stripe

literature stripe

Patent stripe

patents stripe