CID 159893

Perazine sulfoxide

Structural Information

Molecular Formula
C20H25N3OS
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=CC=CC=C42
InChI
InChI=1S/C20H25N3OS/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)25(24)20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChIKey
QGGFCTLXKUUQAT-UHFFFAOYSA-N
Compound name
10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

355.17184 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17912 184.0
[M+Na]+ 378.16106 190.7
[M-H]- 354.16456 186.8
[M+NH4]+ 373.20566 195.2
[M+K]+ 394.13500 183.5
[M+H-H2O]+ 338.16910 173.4
[M+HCOO]- 400.17004 191.5
[M+CH3COO]- 414.18569 191.9
[M+Na-2H]- 376.14651 185.7
[M]+ 355.17129 182.8
[M]- 355.17239 182.8
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

No patent data available for this compound.