CID 77397

Ndr 3680a

Structural Information

Molecular Formula

C₂₂H₂₆F₃N₃OS

SMILES

CCN(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C22H26F3N3OS/c1-2-26(27-12-14-29-15-13-27)10-5-11-28-18-6-3-4-7-20(18)30-21-9-8-17(16-19(21)28)22(23,24)25/h3-4,6-9,16H,2,5,10-15H2,1H3

InChIKey

QNVKMPWVCOPGGP-UHFFFAOYSA-N

Compound name

N-ethyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]morpholin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 437.17487 Da
Monoisotopic Mass: 5.4
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]+	438.182146	201.4
[M+Na]+	460.164088	206.0
[M-H]-	436.167594	202.8
[M+NH4]+	455.208693	209.2
[M+K]+	476.138028	200.7
[M+H-H2O]+	420.172130	188.1
[M+HCOO]-	482.173071	205.3
[M+CH3COO]-	496.188721	207.2
[M+Na-2H]-	458.149536	202.7
[M]+	437.17432142	198.2
[M]-	437.17541858	198.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.