CID 71315019

Cyamemazine sulfoxide

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CC(CN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)C#N)CN(C)C
InChI
InChI=1S/C19H21N3OS/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)24(23)19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
InChIKey
KCPHNCFJFKSBMD-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

339.14053 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.147806 184.1
[M+Na]+ 362.129748 194.2
[M-H]- 338.133254 188.1
[M+NH4]+ 357.174353 198.0
[M+K]+ 378.103688 187.3
[M+H-H2O]+ 322.137790 169.9
[M+HCOO]- 384.138731 194.7
[M+CH3COO]- 398.154381 227.4
[M+Na-2H]- 360.115196 185.4
[M]+ 339.13998142 182.8
[M]- 339.14107858 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.