CID 74200

1628-29-1

Structural Information

Molecular Formula
C14H11NOS
SMILES
CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C14H11NOS/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3
InChIKey
DNVNQWUERFZASD-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

287
Patents

241.05614 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 149.2
[M+Na]+ 264.04536 158.4
[M-H]- 240.04886 153.4
[M+NH4]+ 259.08996 168.3
[M+K]+ 280.01930 153.7
[M+H-H2O]+ 224.05340 142.4
[M+HCOO]- 286.05434 163.5
[M+CH3COO]- 300.06999 161.6
[M+Na-2H]- 262.03081 155.1
[M]+ 241.05559 150.8
[M]- 241.05669 150.8
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