CID 352307

10h-phenothiazine-10-propanoic acid

Structural Information

Molecular Formula
C15H13NO2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)O
InChI
InChI=1S/C15H13NO2S/c17-15(18)9-10-16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)16/h1-8H,9-10H2,(H,17,18)
InChIKey
VNTAONUWHQBAMC-UHFFFAOYSA-N
Compound name
3-phenothiazin-10-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1299
Patents

271.0667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07398 156.8
[M+Na]+ 294.05592 164.8
[M-H]- 270.05942 159.2
[M+NH4]+ 289.10052 173.7
[M+K]+ 310.02986 159.6
[M+H-H2O]+ 254.06396 150.0
[M+HCOO]- 316.06490 169.4
[M+CH3COO]- 330.08055 167.8
[M+Na-2H]- 292.04137 162.1
[M]+ 271.06615 158.4
[M]- 271.06725 158.4
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