CID 207110

Brn 0849371

Structural Information

Molecular Formula
C19H19N3OS3
SMILES
CN1CCN(CC1)C(=S)SC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H19N3OS3/c1-20-10-12-21(13-11-20)19(24)26-18(23)22-14-6-2-4-8-16(14)25-17-9-5-3-7-15(17)22/h2-9H,10-13H2,1H3
InChIKey
SNSBATSRSJVRNH-UHFFFAOYSA-N
Compound name
S-(4-methylpiperazine-1-carbothioyl) phenothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.06903 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.07631 181.5
[M+Na]+ 424.05825 188.0
[M-H]- 400.06175 182.8
[M+NH4]+ 419.10285 191.1
[M+K]+ 440.03219 179.5
[M+H-H2O]+ 384.06629 174.5
[M+HCOO]- 446.06723 177.9
[M+CH3COO]- 460.08288 187.9
[M+Na-2H]- 422.04370 182.7
[M]+ 401.06848 179.0
[M]- 401.06958 179.0
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.