CID 228554

Phenothiazine-10-propionitrile

Structural Information

Molecular Formula
C15H12N2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC#N
InChI
InChI=1S/C15H12N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,11H2
InChIKey
YYDIIBWHOHWIOM-UHFFFAOYSA-N
Compound name
3-phenothiazin-10-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

252.07211 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.079386 158.8
[M+Na]+ 275.061328 170.7
[M-H]- 251.064834 162.1
[M+NH4]+ 270.105933 175.7
[M+K]+ 291.035268 162.4
[M+H-H2O]+ 235.069370 145.7
[M+HCOO]- 297.070311 170.5
[M+CH3COO]- 311.085961 169.3
[M+Na-2H]- 273.046776 164.4
[M]+ 252.07156142 155.4
[M]- 252.07265858 155.4
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