CID 202422

10346-91-5

Structural Information

Molecular Formula
C23H29N3OS
SMILES
CN1CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)OC
InChI
InChI=1S/C23H29N3OS/c1-24-15-17-8-9-18(16-24)25(17)12-5-13-26-20-6-3-4-7-22(20)28-23-11-10-19(27-2)14-21(23)26/h3-4,6-7,10-11,14,17-18H,5,8-9,12-13,15-16H2,1-2H3
InChIKey
USTXORODIRFJRM-UHFFFAOYSA-N
Compound name
2-methoxy-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20312 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21040 196.1
[M+Na]+ 418.19234 209.7
[M+NH4]+ 413.23694 205.9
[M+K]+ 434.16628 199.7
[M-H]- 394.19584 200.1
[M+Na-2H]- 416.17779 198.8
[M]+ 395.20257 199.8
[M]- 395.20367 199.8
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.