CID 9554002

2-acetyl-10-((((2-chlorophenyl)methylene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C23H18ClN3O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=CC=C4Cl
InChI
InChI=1S/C23H18ClN3O2S/c1-15(28)16-10-11-22-20(12-16)27(19-8-4-5-9-21(19)30-22)23(29)14-26-25-13-17-6-2-3-7-18(17)24/h2-13,26H,14H2,1H3/b25-13+
InChIKey
WEADSHFHKGCPHF-DHRITJCHSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0808 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.08808 198.7
[M+Na]+ 458.07002 213.8
[M+NH4]+ 453.11462 207.2
[M+K]+ 474.04396 202.1
[M-H]- 434.07352 205.1
[M+Na-2H]- 456.05547 206.8
[M]+ 435.08025 203.5
[M]- 435.08135 203.5
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.