CID 135801618

10-(((1-(2,4-dihydroxyphenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C22H19N3O3S
SMILES
C/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C22H19N3O3S/c1-14(16-11-10-15(26)12-19(16)27)24-23-13-22(28)25-17-6-2-4-8-20(17)29-21-9-5-3-7-18(21)25/h2-12,23,26-27H,13H2,1H3/b24-14-
InChIKey
NEVUURRKIKYTNX-OYKKKHCWSA-N
Compound name
2-[(2Z)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.11472 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12200 190.2
[M+Na]+ 428.10394 195.9
[M-H]- 404.10744 195.2
[M+NH4]+ 423.14854 200.4
[M+K]+ 444.07788 189.7
[M+H-H2O]+ 388.11198 181.2
[M+HCOO]- 450.11292 202.9
[M+CH3COO]- 464.12857 198.2
[M+Na-2H]- 426.08939 194.4
[M]+ 405.11417 191.0
[M]- 405.11527 191.0
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.