CID 352306

Phenothiazine-10-ethanol

Structural Information

Molecular Formula
C14H13NOS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCO
InChI
InChI=1S/C14H13NOS/c16-10-9-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15/h1-8,16H,9-10H2
InChIKey
FMENRHNHBUWRMN-UHFFFAOYSA-N
Compound name
2-phenothiazin-10-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

178
Patents

243.0718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07908 149.3
[M+Na]+ 266.06102 158.2
[M-H]- 242.06452 151.9
[M+NH4]+ 261.10562 167.7
[M+K]+ 282.03496 152.6
[M+H-H2O]+ 226.06906 142.7
[M+HCOO]- 288.07000 163.0
[M+CH3COO]- 302.08565 161.1
[M+Na-2H]- 264.04647 156.0
[M]+ 243.07125 150.5
[M]- 243.07235 150.5
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