CID 9588070

10-(((1-phenylbutylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C24H23N3OS
SMILES
CCC/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC=CC=C4
InChI
InChI=1S/C24H23N3OS/c1-2-10-19(18-11-4-3-5-12-18)26-25-17-24(28)27-20-13-6-8-15-22(20)29-23-16-9-7-14-21(23)27/h3-9,11-16,25H,2,10,17H2,1H3/b26-19-
InChIKey
KIVGJJIOGIGWRL-XHPQRKPJSA-N
Compound name
1-phenothiazin-10-yl-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1562 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16348 193.0
[M+Na]+ 424.14542 206.8
[M+NH4]+ 419.19002 201.9
[M+K]+ 440.11936 195.1
[M-H]- 400.14892 199.9
[M+Na-2H]- 422.13087 201.8
[M]+ 401.15565 197.5
[M]- 401.15675 197.5
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.