CID 1514439

Phenothiazine-10-acetic acid

Structural Information

Molecular Formula
C14H11NO2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)O
InChI
InChI=1S/C14H11NO2S/c16-14(17)9-15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)
InChIKey
QUJVFIOYSMVYGY-UHFFFAOYSA-N
Compound name
2-phenothiazin-10-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

257.05106 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 153.1
[M+Na]+ 280.04028 167.4
[M+NH4]+ 275.08488 162.8
[M+K]+ 296.01422 157.9
[M-H]- 256.04378 156.1
[M+Na-2H]- 278.02573 159.5
[M]+ 257.05051 156.6
[M]- 257.05161 156.6
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

patents stripe