CID 26388

Metopimazine

Structural Information

Molecular Formula
C22H27N3O3S2
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)N
InChI
InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
InChIKey
BQDBKDMTIJBJLA-UHFFFAOYSA-N
Compound name
1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

52
References

4394
Patents

445.14938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.156656 199.5
[M+Na]+ 468.138598 204.0
[M-H]- 444.142104 201.9
[M+NH4]+ 463.183203 207.5
[M+K]+ 484.112538 196.9
[M+H-H2O]+ 428.146640 191.2
[M+HCOO]- 490.147581 201.1
[M+CH3COO]- 504.163231 205.2
[M+Na-2H]- 466.124046 201.2
[M]+ 445.14883142 198.7
[M]- 445.14992858 198.7
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