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]+ 396.210396 194.9
[M+Na]+ 418.192338 201.4
[M-H]- 394.195844 197.3
[M+NH4]+ 413.236943 208.1
[M+K]+ 434.166278 194.5
[M+H-H2O]+ 378.200380 185.2
[M+HCOO]- 440.201321 200.3
[M+CH3COO]- 454.216971 202.2
[M+Na-2H]- 416.177786 194.2
[M]+ 395.20257142 196.2
[M]- 395.20366858 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.