CID 9554256

Brn 4851320

Structural Information

Molecular Formula
C19H15N3O2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN/N=C/C4=CC=CO4
InChI
InChI=1S/C19H15N3O2S/c23-19(13-21-20-12-14-6-5-11-24-14)22-15-7-1-3-9-17(15)25-18-10-4-2-8-16(18)22/h1-12,21H,13H2/b20-12+
InChIKey
QOAIFHYKRVMZQO-UDWIEESQSA-N
Compound name
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09578 177.3
[M+Na]+ 372.07772 185.0
[M-H]- 348.08122 186.2
[M+NH4]+ 367.12232 192.0
[M+K]+ 388.05166 180.6
[M+H-H2O]+ 332.08576 169.1
[M+HCOO]- 394.08670 195.4
[M+CH3COO]- 408.10235 188.3
[M+Na-2H]- 370.06317 182.9
[M]+ 349.08795 180.7
[M]- 349.08905 180.7
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.