CID 113917

Cyamepromazine maleate

Structural Information

Molecular Formula

C₁₉H₂₁N₃S

SMILES

CC(CN1C2=C(C=C(C=C2)C#N)SC3=CC=CC=C31)CN(C)C

InChI

InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-10-15(11-20)8-9-17(19)22/h4-10,14H,12-13H2,1-3H3

InChIKey

CBFLHGABMUCKLC-UHFFFAOYSA-N

Compound name

10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 323.14563 Da
Monoisotopic Mass: 4.4
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]+	324.152906	180.4
[M+Na]+	346.134848	189.8
[M-H]-	322.138354	184.1
[M+NH4]+	341.179453	194.7
[M+K]+	362.108788	182.7
[M+H-H2O]+	306.142890	166.1
[M+HCOO]-	368.143831	190.7
[M+CH3COO]-	382.159481	188.9
[M+Na-2H]-	344.120296	182.2
[M]+	323.14508142	178.1
[M]-	323.14617858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe