CID 28690

Cyclophenazine

Structural Information

Molecular Formula
C23H26F3N3S
SMILES
C1CC1N2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F
InChI
InChI=1S/C23H26F3N3S/c24-23(25,26)17-6-9-22-20(16-17)29(19-4-1-2-5-21(19)30-22)11-3-10-27-12-14-28(15-13-27)18-7-8-18/h1-2,4-6,9,16,18H,3,7-8,10-15H2
InChIKey
NPYDSZQCCSLZPP-UHFFFAOYSA-N
Compound name
10-[3-(4-cyclopropylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

433.17996 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18724 201.4
[M+Na]+ 456.16918 208.5
[M-H]- 432.17268 202.7
[M+NH4]+ 451.21378 204.5
[M+K]+ 472.14312 199.5
[M+H-H2O]+ 416.17722 187.7
[M+HCOO]- 478.17816 204.0
[M+CH3COO]- 492.19381 206.2
[M+Na-2H]- 454.15463 200.5
[M]+ 433.17941 197.7
[M]- 433.18051 197.7
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

patents stripe