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]+ 396.21040 192.3
[M+Na]+ 418.19234 197.5
[M-H]- 394.19584 192.9
[M+NH4]+ 413.23694 204.6
[M+K]+ 434.16628 189.9
[M+H-H2O]+ 378.20038 182.9
[M+HCOO]- 440.20132 196.4
[M+CH3COO]- 454.21697 198.7
[M+Na-2H]- 416.17779 192.3
[M]+ 395.20257 191.6
[M]- 395.20367 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.