CID 377568

Nsc659133

Structural Information

Molecular Formula
C19H12Cl2N2OS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H12Cl2N2OS/c20-13-10-9-12(11-14(13)21)22-19(24)23-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)23/h1-11H,(H,22,24)
InChIKey
UIOJLBOEUJVSGO-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.00473 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.01201 180.8
[M+Na]+ 408.99395 191.0
[M-H]- 384.99745 187.2
[M+NH4]+ 404.03855 195.0
[M+K]+ 424.96789 182.8
[M+H-H2O]+ 369.00199 173.9
[M+HCOO]- 431.00293 186.3
[M+CH3COO]- 445.01858 190.8
[M+Na-2H]- 406.97940 185.1
[M]+ 386.00418 185.3
[M]- 386.00528 185.3
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.