CID 98841

Phenothiazine-2-carbonitrile

Structural Information

Molecular Formula
C13H8N2S
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C#N
InChI
InChI=1S/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H
InChIKey
XZSIGWOVDPSPMG-UHFFFAOYSA-N
Compound name
10H-phenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

161
Patents

224.04082 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04810 151.9
[M+Na]+ 247.03004 164.2
[M-H]- 223.03354 154.3
[M+NH4]+ 242.07464 169.2
[M+K]+ 263.00398 155.7
[M+H-H2O]+ 207.03808 139.6
[M+HCOO]- 269.03902 162.8
[M+CH3COO]- 283.05467 162.5
[M+Na-2H]- 245.01549 158.0
[M]+ 224.04027 146.3
[M]- 224.04137 146.3
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