CID 3021456

Brn 4537269

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
C1COCCN1CCC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4N3
InChI
InChI=1S/C19H20N2O2S/c22-17(7-8-21-9-11-23-12-10-21)14-5-6-19-16(13-14)20-15-3-1-2-4-18(15)24-19/h1-6,13,20H,7-12H2
InChIKey
HWNUILOLMIBHAJ-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-(10H-phenothiazin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.12454 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 175.2
[M+Na]+ 363.11376 180.0
[M-H]- 339.11726 178.4
[M+NH4]+ 358.15836 185.7
[M+K]+ 379.08770 174.8
[M+H-H2O]+ 323.12180 165.9
[M+HCOO]- 385.12274 181.6
[M+CH3COO]- 399.13839 183.1
[M+Na-2H]- 361.09921 178.5
[M]+ 340.12399 172.2
[M]- 340.12509 172.2
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.