CID 9588011

Phenothiazine, 10-(((o-chlorobenzylidene)hydrazono)acetyl)-

Structural Information

Molecular Formula
C21H16ClN3OS
SMILES
C1=CC=C(C(=C1)/C=N/NCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl
InChI
InChI=1S/C21H16ClN3OS/c22-16-8-2-1-7-15(16)13-23-24-14-21(26)25-17-9-3-5-11-19(17)27-20-12-6-4-10-18(20)25/h1-13,24H,14H2/b23-13+
InChIKey
NUXTXBLATJXCIB-YDZHTSKRSA-N
Compound name
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07025 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.07753 187.9
[M+Na]+ 416.05947 203.9
[M+NH4]+ 411.10407 197.7
[M+K]+ 432.03341 191.2
[M-H]- 392.06297 195.2
[M+Na-2H]- 414.04492 197.4
[M]+ 393.06970 193.2
[M]- 393.07080 193.2
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.