CID 9588018

10-(((3-benzyloxybenzylidene)hydrazono)acetyl)phenothiazine

Structural Information

Molecular Formula
C28H23N3O2S
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C28H23N3O2S/c32-28(31-24-13-4-6-15-26(24)34-27-16-7-5-14-25(27)31)19-30-29-18-22-11-8-12-23(17-22)33-20-21-9-2-1-3-10-21/h1-18,30H,19-20H2/b29-18+
InChIKey
QISHPIRNMRWAPT-RDRPBHBLSA-N
Compound name
1-phenothiazin-10-yl-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1511 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.15838 208.8
[M+Na]+ 488.14032 224.8
[M+NH4]+ 483.18492 217.6
[M+K]+ 504.11426 211.6
[M-H]- 464.14382 218.0
[M+Na-2H]- 486.12577 220.1
[M]+ 465.15055 214.4
[M]- 465.15165 214.4
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.