CID 135770222

Phenothiazine, 10-(((3,4-dichlorosalicylidene)hydrazono)acetyl)-

Structural Information

Molecular Formula
C21H15Cl2N3O2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN/N=C/C4=C(C(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C21H15Cl2N3O2S/c22-14-10-9-13(21(28)20(14)23)11-24-25-12-19(27)26-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)26/h1-11,25,28H,12H2/b24-11+
InChIKey
SPDZUXJGCMDZFK-BHGWPJFGSA-N
Compound name
2-[(2E)-2-[(3,4-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.0262 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.03348 195.2
[M+Na]+ 466.01542 204.3
[M-H]- 442.01892 201.4
[M+NH4]+ 461.06002 206.7
[M+K]+ 481.98936 196.1
[M+H-H2O]+ 426.02346 187.9
[M+HCOO]- 488.02440 201.3
[M+CH3COO]- 502.04005 203.9
[M+Na-2H]- 464.00087 199.0
[M]+ 443.02565 200.9
[M]- 443.02675 200.9
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.