CID 113915

P 416

Structural Information

Molecular Formula
C22H28N2S
SMILES
CCCCN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H28N2S/c1-2-3-14-23-15-8-9-18(16-23)17-24-19-10-4-6-12-21(19)25-22-13-7-5-11-20(22)24/h4-7,10-13,18H,2-3,8-9,14-17H2,1H3
InChIKey
QSKPBYOSRWPFBI-UHFFFAOYSA-N
Compound name
10-[(1-butylpiperidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.19733 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20461 184.5
[M+Na]+ 375.18655 199.3
[M+NH4]+ 370.23115 194.9
[M+K]+ 391.16049 186.5
[M-H]- 351.19005 190.6
[M+Na-2H]- 373.17200 191.4
[M]+ 352.19678 189.1
[M]- 352.19788 189.1
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.