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
1
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]+ 340.14781 184.1
[M+Na]+ 362.12975 194.2
[M-H]- 338.13325 188.1
[M+NH4]+ 357.17435 198.0
[M+K]+ 378.10369 187.3
[M+H-H2O]+ 322.13779 169.9
[M+HCOO]- 384.13873 194.7
[M+CH3COO]- 398.15438 227.4
[M+Na-2H]- 360.11520 185.4
[M]+ 339.13998 182.8
[M]- 339.14108 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.