CID 24841456

89258-16-2

Structural Information

Molecular Formula
C25H19Cl2N3O3S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CNN4C(C(C4=O)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C25H19Cl2N3O3S/c1-14(31)15-10-11-21-19(12-15)29(18-8-4-5-9-20(18)34-21)22(32)13-28-30-24(23(27)25(30)33)16-6-2-3-7-17(16)26/h2-12,23-24,28H,13H2,1H3
InChIKey
ODRIBGIIYZBCEQ-UHFFFAOYSA-N
Compound name
1-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]amino]-3-chloro-4-(2-chlorophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.05243 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.05971 206.6
[M+Na]+ 534.04165 213.3
[M-H]- 510.04515 212.9
[M+NH4]+ 529.08625 207.5
[M+K]+ 550.01559 209.3
[M+H-H2O]+ 494.04969 191.4
[M+HCOO]- 556.05063 206.6
[M+CH3COO]- 570.06628 212.8
[M+Na-2H]- 532.02710 205.2
[M]+ 511.05188 220.5
[M]- 511.05298 220.5
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.