CID 24841457

89258-20-8

Structural Information

Molecular Formula
C25H18Cl3N3O3S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CNN4C(C(C4=O)Cl)C5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C25H18Cl3N3O3S/c1-13(32)14-7-9-21-19(11-14)30(18-4-2-3-5-20(18)35-21)22(33)12-29-31-24(23(28)25(31)34)15-6-8-16(26)17(27)10-15/h2-11,23-24,29H,12H2,1H3
InChIKey
POCFOGOJEQFFGI-UHFFFAOYSA-N
Compound name
1-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]amino]-3-chloro-4-(3,4-dichlorophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.0134 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.02068 207.1
[M+Na]+ 568.00262 214.7
[M-H]- 544.00612 212.6
[M+NH4]+ 563.04722 207.7
[M+K]+ 583.97656 210.8
[M+H-H2O]+ 528.01066 193.2
[M+HCOO]- 590.01160 202.6
[M+CH3COO]- 604.02725 213.0
[M+Na-2H]- 565.98807 204.8
[M]+ 545.01285 221.8
[M]- 545.01395 221.8
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.