CID 30244

Butyrylpromazine

Structural Information

Molecular Formula

C₂₁H₂₆N₂OS

SMILES

CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C

InChI

InChI=1S/C21H26N2OS/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3

InChIKey

GRVZGPLWLJJPKF-UHFFFAOYSA-N

Compound name

1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 354.17657 Da
Monoisotopic Mass: 5.1
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]+	355.183846	184.3
[M+Na]+	377.165788	190.0
[M-H]-	353.169294	188.4
[M+NH4]+	372.210393	198.9
[M+K]+	393.139728	185.0
[M+H-H2O]+	337.173830	175.6
[M+HCOO]-	399.174771	197.3
[M+CH3COO]-	413.190421	222.6
[M+Na-2H]-	375.151236	185.9
[M]+	354.17602142	189.0
[M]-	354.17711858	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe