CID 113914

63833-96-5

Structural Information

Molecular Formula
C22H28N2S
SMILES
CCCCN1CCCCC1CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H28N2S/c1-2-3-15-23-16-9-8-10-18(23)17-24-19-11-4-6-13-21(19)25-22-14-7-5-12-20(22)24/h4-7,11-14,18H,2-3,8-10,15-17H2,1H3
InChIKey
LCAAEPGBRICJHD-UHFFFAOYSA-N
Compound name
10-[(1-butylpiperidin-2-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.19733 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20461 183.6
[M+Na]+ 375.18655 188.5
[M-H]- 351.19005 187.1
[M+NH4]+ 370.23115 196.2
[M+K]+ 391.16049 181.1
[M+H-H2O]+ 335.19459 173.3
[M+HCOO]- 397.19553 191.6
[M+CH3COO]- 411.21118 191.3
[M+Na-2H]- 373.17200 185.0
[M]+ 352.19678 181.5
[M]- 352.19788 181.5
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.