CID 9588013

10-(((3,4-dichlorobenzylidene)hydrazono)acetyl)phenothiazine

Structural Information

Molecular Formula
C21H15Cl2N3OS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN/N=C/C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H15Cl2N3OS/c22-15-10-9-14(11-16(15)23)12-24-25-13-21(27)26-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)26/h1-12,25H,13H2/b24-12+
InChIKey
RRMWVNFFJJXKJP-WYMPLXKRSA-N
Compound name
2-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.03128 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.03856 193.1
[M+Na]+ 450.02050 202.1
[M-H]- 426.02400 200.2
[M+NH4]+ 445.06510 205.7
[M+K]+ 465.99444 193.7
[M+H-H2O]+ 410.02854 185.1
[M+HCOO]- 472.02948 200.4
[M+CH3COO]- 486.04513 202.2
[M+Na-2H]- 448.00595 197.4
[M]+ 427.03073 198.7
[M]- 427.03183 198.7
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.