CID 201310

Brn 0578586

Structural Information

Molecular Formula
C23H29N3OS
SMILES
C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=CC=CC=C53)CCO
InChI
InChI=1S/C23H29N3OS/c27-15-14-24-16-18-10-11-19(17-24)25(18)12-5-13-26-20-6-1-3-8-22(20)28-23-9-4-2-7-21(23)26/h1-4,6-9,18-19,27H,5,10-17H2
InChIKey
RFCPBHVDIXXSGT-UHFFFAOYSA-N
Compound name
2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20312 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.210396 192.3
[M+Na]+ 418.192338 197.5
[M-H]- 394.195844 192.9
[M+NH4]+ 413.236943 204.6
[M+K]+ 434.166278 189.9
[M+H-H2O]+ 378.200380 182.9
[M+HCOO]- 440.201321 196.4
[M+CH3COO]- 454.216971 198.7
[M+Na-2H]- 416.177786 192.3
[M]+ 395.20257142 191.6
[M]- 395.20366858 191.6
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.