CID 9588012

10-(((m-chlorobenzylidene)hydrazono)acetyl)phenothiazine

Structural Information

Molecular Formula
C21H16ClN3OS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN/N=C/C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H16ClN3OS/c22-16-7-5-6-15(12-16)13-23-24-14-21(26)25-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)25/h1-13,24H,14H2/b23-13+
InChIKey
ZIFXPMGAACBJFB-YDZHTSKRSA-N
Compound name
2-[(2E)-2-[(3-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 187.0
[M+Na]+ 416.05947 194.9
[M-H]- 392.06297 194.4
[M+NH4]+ 411.10407 200.1
[M+K]+ 432.03341 187.0
[M+H-H2O]+ 376.06751 178.0
[M+HCOO]- 438.06845 199.3
[M+CH3COO]- 452.08410 196.5
[M+Na-2H]- 414.04492 192.8
[M]+ 393.06970 190.6
[M]- 393.07080 190.6
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.