CID 213980

27447-79-6

Structural Information

Molecular Formula
C24H30ClN3S
SMILES
CN1CC2CCCC(C1)N2CCCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C24H30ClN3S/c1-26-16-19-7-6-8-20(17-26)27(19)13-4-5-14-28-21-9-2-3-10-23(21)29-24-12-11-18(25)15-22(24)28/h2-3,9-12,15,19-20H,4-8,13-14,16-17H2,1H3
InChIKey
VLVSFNGOONHSHP-UHFFFAOYSA-N
Compound name
2-chloro-10-[4-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)butyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1849 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19218 199.7
[M+Na]+ 450.17412 205.2
[M-H]- 426.17762 200.5
[M+NH4]+ 445.21872 210.2
[M+K]+ 466.14806 196.4
[M+H-H2O]+ 410.18216 188.7
[M+HCOO]- 472.18310 197.5
[M+CH3COO]- 486.19875 205.2
[M+Na-2H]- 448.15957 200.3
[M]+ 427.18435 199.3
[M]- 427.18545 199.3
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.