CID 263443

101976-39-0

Structural Information

Molecular Formula
C15H14ClNS
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)Cl
InChI
InChI=1S/C15H14ClNS/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17/h2-9,11H,10H2,1H3
InChIKey
QCJWEEHOHPZKMR-UHFFFAOYSA-N
Compound name
10-(2-chloropropyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05356 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06084 156.3
[M+Na]+ 298.04278 165.5
[M-H]- 274.04628 160.0
[M+NH4]+ 293.08738 174.9
[M+K]+ 314.01672 159.1
[M+H-H2O]+ 258.05082 150.1
[M+HCOO]- 320.05176 165.3
[M+CH3COO]- 334.06741 167.9
[M+Na-2H]- 296.02823 161.2
[M]+ 275.05301 159.6
[M]- 275.05411 159.6
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.