CID 3021453

Brn 4588880

Structural Information

Molecular Formula
C24H21ClN2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CNCCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H21ClN2O2S/c1-16(28)18-8-11-23-21(14-18)27(20-4-2-3-5-22(20)30-23)24(29)15-26-13-12-17-6-9-19(25)10-7-17/h2-11,14,26H,12-13,15H2,1H3
InChIKey
PNCFGBNTDVKTQP-UHFFFAOYSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[2-(4-chlorophenyl)ethylamino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.10123 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.10851 200.5
[M+Na]+ 459.09045 216.1
[M+NH4]+ 454.13505 209.3
[M+K]+ 475.06439 204.2
[M-H]- 435.09395 206.4
[M+Na-2H]- 457.07590 208.1
[M]+ 436.10068 205.4
[M]- 436.10178 205.4
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.