CID 377581

102233-26-1

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
C1CN(CCN1CCO)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H21N3O2S/c23-14-13-20-9-11-21(12-10-20)19(24)22-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)22/h1-8,23H,9-14H2
InChIKey
LTVDJVRLUFIEPZ-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13544 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 181.2
[M+Na]+ 378.12466 186.7
[M-H]- 354.12816 182.7
[M+NH4]+ 373.16926 191.4
[M+K]+ 394.09860 180.2
[M+H-H2O]+ 338.13270 171.4
[M+HCOO]- 400.13364 186.9
[M+CH3COO]- 414.14929 188.5
[M+Na-2H]- 376.11011 183.4
[M]+ 355.13489 178.4
[M]- 355.13599 178.4
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.