CID 9588066

10-(((1-(4-chlorophenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C22H18ClN3OS
SMILES
C/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H18ClN3OS/c1-15(16-10-12-17(23)13-11-16)25-24-14-22(27)26-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)26/h2-13,24H,14H2,1H3/b25-15-
InChIKey
CRXGUFYKOMHHDZ-MYYYXRDXSA-N
Compound name
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0859 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09318 191.2
[M+Na]+ 430.07512 198.2
[M-H]- 406.07862 198.5
[M+NH4]+ 425.11972 203.7
[M+K]+ 446.04906 190.8
[M+H-H2O]+ 390.08316 182.3
[M+HCOO]- 452.08410 202.1
[M+CH3COO]- 466.09975 200.2
[M+Na-2H]- 428.06057 195.6
[M]+ 407.08535 194.7
[M]- 407.08645 194.7
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.