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]+ 378.10710 183.3
[M+Na]+ 400.08904 190.6
[M-H]- 376.09254 189.5
[M+NH4]+ 395.13364 196.1
[M+K]+ 416.06298 183.3
[M+H-H2O]+ 360.09708 172.5
[M+HCOO]- 422.09802 199.0
[M+CH3COO]- 436.11367 192.6
[M+Na-2H]- 398.07449 189.0
[M]+ 377.09927 183.6
[M]- 377.10037 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.