CID 350926

1-(10h-phenothiazin-2-yl)ethanol

Structural Information

Molecular Formula
C14H13NOS
SMILES
CC(C1=CC2=C(C=C1)SC3=CC=CC=C3N2)O
InChI
InChI=1S/C14H13NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-9,15-16H,1H3
InChIKey
OQJSSFKWEIGNKG-UHFFFAOYSA-N
Compound name
1-(10H-phenothiazin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.0718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.079076 149.4
[M+Na]+ 266.061018 157.4
[M-H]- 242.064524 150.6
[M+NH4]+ 261.105623 166.9
[M+K]+ 282.034958 151.5
[M+H-H2O]+ 226.069060 143.3
[M+HCOO]- 288.070001 160.5
[M+CH3COO]- 302.085651 160.3
[M+Na-2H]- 264.046466 154.7
[M]+ 243.07125142 148.2
[M]- 243.07234858 148.2
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