CID 66705

1-(10h-phenothiazin-2-yl)propan-1-one

Structural Information

Molecular Formula
C15H13NOS
SMILES
CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C15H13NOS/c1-2-13(17)10-7-8-15-12(9-10)16-11-5-3-4-6-14(11)18-15/h3-9,16H,2H2,1H3
InChIKey
XPGPHJNCOZQFAU-UHFFFAOYSA-N
Compound name
1-(10H-phenothiazin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

255.0718 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07908 153.4
[M+Na]+ 278.06102 161.6
[M-H]- 254.06452 155.8
[M+NH4]+ 273.10562 171.0
[M+K]+ 294.03496 155.7
[M+H-H2O]+ 238.06906 146.7
[M+HCOO]- 300.07000 165.8
[M+CH3COO]- 314.08565 164.6
[M+Na-2H]- 276.04647 158.5
[M]+ 255.07125 153.5
[M]- 255.07235 153.5
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

patents stripe