CID 5107479

3-chloro-10-ethylphenothiazine

Structural Information

Molecular Formula
C14H12ClNS
SMILES
CCN1C2=C(C=C(C=C2)Cl)SC3=CC=CC=C31
InChI
InChI=1S/C14H12ClNS/c1-2-16-11-5-3-4-6-13(11)17-14-9-10(15)7-8-12(14)16/h3-9H,2H2,1H3
InChIKey
XOVGCKPQBBCMIX-UHFFFAOYSA-N
Compound name
3-chloro-10-ethylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

261.0379 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04518 152.2
[M+Na]+ 284.02712 163.1
[M-H]- 260.03062 156.4
[M+NH4]+ 279.07172 171.8
[M+K]+ 300.00106 156.5
[M+H-H2O]+ 244.03516 146.2
[M+HCOO]- 306.03610 162.5
[M+CH3COO]- 320.05175 164.7
[M+Na-2H]- 282.01257 157.9
[M]+ 261.03735 156.1
[M]- 261.03845 156.1
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