CID 16729204

Chembl1182499

Structural Information

Molecular Formula
C24H26FN2S
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2SC3=CC=CC=C31)CC4=CC=C(C=C4)F
InChI
InChI=1S/C24H26FN2S/c1-27(2,18-19-12-14-20(25)15-13-19)17-7-16-26-21-8-3-5-10-23(21)28-24-11-6-4-9-22(24)26/h3-6,8-15H,7,16-18H2,1-2H3/q+1
InChIKey
AUHIGOIAJBOGTA-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)methyl-dimethyl-(3-phenothiazin-10-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.18008 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 192.7
[M+Na]+ 416.16930 199.0
[M-H]- 392.17280 198.7
[M+NH4]+ 411.21390 205.3
[M+K]+ 432.14324 186.1
[M+H-H2O]+ 376.17734 184.3
[M+HCOO]- 438.17828 204.7
[M+CH3COO]- 452.19393 220.9
[M+Na-2H]- 414.15475 199.5
[M]+ 393.17953 192.8
[M]- 393.18063 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.