CID 5566

Trifluoperazine

Structural Information

Molecular Formula
C21H24F3N3S
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
ZEWQUBUPAILYHI-UHFFFAOYSA-N
Compound name
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3833
References

29321
Patents

407.1643 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17158 196.7
[M+Na]+ 430.15352 203.4
[M-H]- 406.15702 195.4
[M+NH4]+ 425.19812 205.8
[M+K]+ 446.12746 195.0
[M+H-H2O]+ 390.16156 183.5
[M+HCOO]- 452.16250 198.7
[M+CH3COO]- 466.17815 202.5
[M+Na-2H]- 428.13897 196.8
[M]+ 407.16375 191.6
[M]- 407.16485 191.6
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

patents stripe