CID 3045437

60706-43-6

Structural Information

Molecular Formula
C19H23N3S
SMILES
CN1CCN(CC1)CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H23N3S/c1-20-10-12-21(13-11-20)14-15-22-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)22/h2-9H,10-15H2,1H3
InChIKey
KXSRCCZGVUUIAA-UHFFFAOYSA-N
Compound name
10-[2-(4-methylpiperazin-1-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16125 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 175.6
[M+Na]+ 348.15047 182.0
[M-H]- 324.15397 178.3
[M+NH4]+ 343.19507 187.9
[M+K]+ 364.12441 174.9
[M+H-H2O]+ 308.15851 165.2
[M+HCOO]- 370.15945 183.3
[M+CH3COO]- 384.17510 183.9
[M+Na-2H]- 346.13592 178.5
[M]+ 325.16070 173.0
[M]- 325.16180 173.0
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

No patent data available for this compound.