CID 31765

Sulforidazine

Structural Information

Molecular Formula
C21H26N2O2S2
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
FLGCRGJDQJIJAW-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfonylphenothiazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

535
Patents

402.1436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15088 191.4
[M+Na]+ 425.13282 197.9
[M-H]- 401.13632 194.9
[M+NH4]+ 420.17742 202.3
[M+K]+ 441.10676 190.7
[M+H-H2O]+ 385.14086 183.0
[M+HCOO]- 447.14180 193.8
[M+CH3COO]- 461.15745 198.7
[M+Na-2H]- 423.11827 193.3
[M]+ 402.14305 191.6
[M]- 402.14415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.