CID 3021450

Brn 4597841

Structural Information

Molecular Formula
C23H18Cl2N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CNCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O2S/c1-14(28)15-7-9-22-20(10-15)27(19-4-2-3-5-21(19)30-22)23(29)13-26-12-16-6-8-17(24)11-18(16)25/h2-11,26H,12-13H2,1H3
InChIKey
LNABEMVFKGRFGJ-UHFFFAOYSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2,4-dichlorophenyl)methylamino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0466 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.05388 199.9
[M+Na]+ 479.03582 208.5
[M-H]- 455.03932 205.9
[M+NH4]+ 474.08042 211.0
[M+K]+ 495.00976 200.4
[M+H-H2O]+ 439.04386 192.5
[M+HCOO]- 501.04480 203.3
[M+CH3COO]- 515.06045 208.1
[M+Na-2H]- 477.02127 200.9
[M]+ 456.04605 206.4
[M]- 456.04715 206.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.