CID 19825832

1-[3,7-bis(dimethylamino)-10h-phenothiazin-10-yl]ethanone

Structural Information

Molecular Formula
C18H21N3OS
SMILES
CC(=O)N1C2=C(C=C(C=C2)N(C)C)SC3=C1C=CC(=C3)N(C)C
InChI
InChI=1S/C18H21N3OS/c1-12(22)21-15-8-6-13(19(2)3)10-17(15)23-18-11-14(20(4)5)7-9-16(18)21/h6-11H,1-5H3
InChIKey
JEOGFTYLESYHAM-UHFFFAOYSA-N
Compound name
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

194
Patents

327.14053 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.147806 174.8
[M+Na]+ 350.129748 182.0
[M-H]- 326.133254 181.2
[M+NH4]+ 345.174353 191.2
[M+K]+ 366.103688 179.2
[M+H-H2O]+ 310.137790 166.5
[M+HCOO]- 372.138731 190.2
[M+CH3COO]- 386.154381 222.7
[M+Na-2H]- 348.115196 177.4
[M]+ 327.13998142 179.5
[M]- 327.14107858 179.5
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

patents stripe