CID 6509956

10-(((1-(3,4-dimethoxyphenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C24H23N3O3S
SMILES
C/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H23N3O3S/c1-16(17-12-13-20(29-2)21(14-17)30-3)26-25-15-24(28)27-18-8-4-6-10-22(18)31-23-11-7-5-9-19(23)27/h4-14,25H,15H2,1-3H3/b26-16-
InChIKey
FFQMDWABSRJJAR-QQXSKIMKSA-N
Compound name
2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.14603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15331 200.4
[M+Na]+ 456.13525 213.8
[M+NH4]+ 451.17985 208.1
[M+K]+ 472.10919 203.6
[M-H]- 432.13875 206.4
[M+Na-2H]- 454.12070 207.9
[M]+ 433.14548 204.5
[M]- 433.14658 204.5
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.