CID 3024720

Brn 0762042

Structural Information

Molecular Formula
C21H26N2OS
SMILES
COC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H26N2OS/c1-24-17-11-15-22(16-12-17)13-6-14-23-18-7-2-4-9-20(18)25-21-10-5-3-8-19(21)23/h2-5,7-10,17H,6,11-16H2,1H3
InChIKey
XGLRHXDUOQZXGK-UHFFFAOYSA-N
Compound name
10-[3-(4-methoxypiperidin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17657 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18385 182.8
[M+Na]+ 377.16579 187.9
[M-H]- 353.16929 186.4
[M+NH4]+ 372.21039 195.1
[M+K]+ 393.13973 181.4
[M+H-H2O]+ 337.17383 172.6
[M+HCOO]- 399.17477 191.2
[M+CH3COO]- 413.19042 190.7
[M+Na-2H]- 375.15124 184.9
[M]+ 354.17602 181.7
[M]- 354.17712 181.7
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

patents stripe