CID 212300

Phenothiazine, 2-methoxy-10-(3-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H29N3OS
SMILES
CN1C2CCC1CN(C2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)OC
InChI
InChI=1S/C23H29N3OS/c1-24-17-8-9-18(24)16-25(15-17)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
JIQJWKIECPPYGY-UHFFFAOYSA-N
Compound name
2-methoxy-10-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-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 194.9
[M+Na]+ 418.19234 201.4
[M-H]- 394.19584 197.3
[M+NH4]+ 413.23694 208.1
[M+K]+ 434.16628 194.5
[M+H-H2O]+ 378.20038 185.2
[M+HCOO]- 440.20132 200.3
[M+CH3COO]- 454.21697 202.2
[M+Na-2H]- 416.17779 194.2
[M]+ 395.20257 196.2
[M]- 395.20367 196.2
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.