CID 380632

10h-phenothiazine-4-carbonitrile

Structural Information

Molecular Formula
C13H8N2S
SMILES
C1=CC=C2C(=C1)NC3=CC=CC(=C3S2)C#N
InChI
InChI=1S/C13H8N2S/c14-8-9-4-3-6-11-13(9)16-12-7-2-1-5-10(12)15-11/h1-7,15H
InChIKey
DRIWXTSESHVHDY-UHFFFAOYSA-N
Compound name
10H-phenothiazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.04082 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe