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 200.9
[M+Na]+ 456.13525 206.3
[M-H]- 432.13875 208.1
[M+NH4]+ 451.17985 211.2
[M+K]+ 472.10919 201.3
[M+H-H2O]+ 416.14329 190.4
[M+HCOO]- 478.14423 215.7
[M+CH3COO]- 492.15988 209.1
[M+Na-2H]- 454.12070 204.4
[M]+ 433.14548 205.5
[M]- 433.14658 205.5
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.