CID 151090

3240-48-0

Structural Information

Molecular Formula
C19H23N3S
SMILES
C1CN(CCN1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H23N3S/c1-3-8-18-16(6-1)22(17-7-2-4-9-19(17)23-18)13-5-12-21-14-10-20-11-15-21/h1-4,6-9,20H,5,10-15H2
InChIKey
YWSUKAVVJWNXMP-UHFFFAOYSA-N
Compound name
10-(3-piperazin-1-ylpropyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

103
Patents

325.16125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 173.6
[M+Na]+ 348.15047 178.7
[M-H]- 324.15397 174.6
[M+NH4]+ 343.19507 185.0
[M+K]+ 364.12441 170.9
[M+H-H2O]+ 308.15851 163.5
[M+HCOO]- 370.15945 179.9
[M+CH3COO]- 384.17510 181.0
[M+Na-2H]- 346.13592 177.1
[M]+ 325.16070 169.0
[M]- 325.16180 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe