CID 135770170

Brn 4851741

Structural Information

Molecular Formula
C21H17N3O3S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN/N=C/C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C21H17N3O3S/c25-15-10-9-14(18(26)11-15)12-22-23-13-21(27)24-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)24/h1-12,23,25-26H,13H2/b22-12+
InChIKey
SGONKJVULUNQNK-WSDLNYQXSA-N
Compound name
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.09906 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10634 185.7
[M+Na]+ 414.08828 192.3
[M-H]- 390.09178 190.9
[M+NH4]+ 409.13288 196.6
[M+K]+ 430.06222 185.5
[M+H-H2O]+ 374.09632 176.6
[M+HCOO]- 436.09726 199.8
[M+CH3COO]- 450.11291 194.3
[M+Na-2H]- 412.07373 191.3
[M]+ 391.09851 186.7
[M]- 391.09961 186.7
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.