CID 458780

Lsd1-in-24

Structural Information

Molecular Formula
C18H20N2OS
SMILES
C1COCCN1CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C18H20N2OS/c1-3-7-17-15(5-1)20(10-9-19-11-13-21-14-12-19)16-6-2-4-8-18(16)22-17/h1-8H,9-14H2
InChIKey
VJQXIWLVJMDRGV-UHFFFAOYSA-N
Compound name
4-(2-phenothiazin-10-ylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

312.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 168.6
[M+Na]+ 335.11886 174.7
[M-H]- 311.12236 173.4
[M+NH4]+ 330.16346 181.3
[M+K]+ 351.09280 169.9
[M+H-H2O]+ 295.12690 159.0
[M+HCOO]- 357.12784 177.6
[M+CH3COO]- 371.14349 177.9
[M+Na-2H]- 333.10431 173.4
[M]+ 312.12909 166.8
[M]- 312.13019 166.8
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.