CID 1114041

Phenothiazine, 2-chloro-10-(morpholinoacetyl)-

Structural Information

Molecular Formula
C18H17ClN2O2S
SMILES
C1COCCN1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C18H17ClN2O2S/c19-13-5-6-17-15(11-13)21(14-3-1-2-4-16(14)24-17)18(22)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12H2
InChIKey
PQZBOHRAUKGCDL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

360.06992 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07720 178.1
[M+Na]+ 383.05914 185.3
[M-H]- 359.06264 183.2
[M+NH4]+ 378.10374 189.8
[M+K]+ 399.03308 180.1
[M+H-H2O]+ 343.06718 169.3
[M+HCOO]- 405.06812 181.7
[M+CH3COO]- 419.08377 187.0
[M+Na-2H]- 381.04459 181.0
[M]+ 360.06937 179.0
[M]- 360.07047 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

literature stripe

Patent stripe

No patent data available for this compound.