CID 213978

2-chloro-10-(3-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)propyl)-10h-phenothiazine 2hcl

Structural Information

Molecular Formula
C23H28ClN3S
SMILES
CN1CC2CCCC(C1)N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C23H28ClN3S/c1-25-15-18-6-4-7-19(16-25)26(18)12-5-13-27-20-8-2-3-9-22(20)28-23-11-10-17(24)14-21(23)27/h2-3,8-11,14,18-19H,4-7,12-13,15-16H2,1H3
InChIKey
BDPONDMORNMGCB-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16925 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17653 195.6
[M+Na]+ 436.15847 201.5
[M-H]- 412.16197 196.6
[M+NH4]+ 431.20307 206.7
[M+K]+ 452.13241 192.9
[M+H-H2O]+ 396.16651 184.8
[M+HCOO]- 458.16745 193.8
[M+CH3COO]- 472.18310 201.5
[M+Na-2H]- 434.14392 196.6
[M]+ 413.16870 194.9
[M]- 413.16980 194.9
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.