CID 56680014

10h-phenoxazine-3-carbonitrile

Structural Information

Molecular Formula
C13H8N2O
SMILES
C1=CC=C2C(=C1)NC3=C(O2)C=C(C=C3)C#N
InChI
InChI=1S/C13H8N2O/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H
InChIKey
GVULGBMMUORKKO-UHFFFAOYSA-N
Compound name
10H-phenoxazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

208.06366 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07094 145.2
[M+Na]+ 231.05288 157.0
[M-H]- 207.05638 147.4
[M+NH4]+ 226.09748 161.0
[M+K]+ 247.02682 149.9
[M+H-H2O]+ 191.06092 131.7
[M+HCOO]- 253.06186 160.0
[M+CH3COO]- 267.07751 156.2
[M+Na-2H]- 229.03833 154.3
[M]+ 208.06311 138.9
[M]- 208.06421 138.9
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