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

14
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 152.4
[M+Na]+ 280.04028 160.8
[M-H]- 256.04378 155.0
[M+NH4]+ 275.08488 169.8
[M+K]+ 296.01422 155.8
[M+H-H2O]+ 240.04832 145.7
[M+HCOO]- 302.04926 165.3
[M+CH3COO]- 316.06491 163.8
[M+Na-2H]- 278.02573 158.1
[M]+ 257.05051 153.6
[M]- 257.05161 153.6
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