CID 9588017

66786-23-0

Structural Information

Molecular Formula
C21H16FN3OS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN/N=C/C4=CC(=CC=C4)F
InChI
InChI=1S/C21H16FN3OS/c22-16-7-5-6-15(12-16)13-23-24-14-21(26)25-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)25/h1-13,24H,14H2/b23-13+
InChIKey
CFULBCANWUQWQS-YDZHTSKRSA-N
Compound name
2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.09982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.107096 183.3
[M+Na]+ 400.089038 190.6
[M-H]- 376.092544 189.5
[M+NH4]+ 395.133643 196.1
[M+K]+ 416.062978 183.3
[M+H-H2O]+ 360.097080 172.5
[M+HCOO]- 422.098021 199.0
[M+CH3COO]- 436.113671 192.6
[M+Na-2H]- 398.074486 189.0
[M]+ 377.09927142 183.6
[M]- 377.10036858 183.6
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.