CID 379212

Nsc663625

Structural Information

Molecular Formula
C14H12ClNOS
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCO
InChI
InChI=1S/C14H12ClNOS/c15-10-5-6-14-12(9-10)16(7-8-17)11-3-1-2-4-13(11)18-14/h1-6,9,17H,7-8H2
InChIKey
FROIENHSRFXVDC-UHFFFAOYSA-N
Compound name
2-(2-chlorophenothiazin-10-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

277.0328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04008 155.2
[M+Na]+ 300.02202 165.5
[M-H]- 276.02552 158.0
[M+NH4]+ 295.06662 173.3
[M+K]+ 315.99596 158.6
[M+H-H2O]+ 260.03006 149.5
[M+HCOO]- 322.03100 164.2
[M+CH3COO]- 336.04665 166.9
[M+Na-2H]- 298.00747 160.8
[M]+ 277.03225 158.8
[M]- 277.03335 158.8
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

No patent data available for this compound.