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
4
Annotation Hits

26
References

499
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

literature stripe

Patent stripe

patents stripe