CID 98830

2-chloro-10h-phenothiazine-10-propanenitrile

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCC#N
InChI
InChI=1S/C15H11ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,9H2
InChIKey
BUHZIQWDEWOJBM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

4
Patents

286.03314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04042 165.0
[M+Na]+ 309.02236 178.3
[M-H]- 285.02586 168.5
[M+NH4]+ 304.06696 181.8
[M+K]+ 324.99630 168.8
[M+H-H2O]+ 269.03040 152.8
[M+HCOO]- 331.03134 172.5
[M+CH3COO]- 345.04699 175.4
[M+Na-2H]- 307.00781 169.5
[M]+ 286.03259 163.8
[M]- 286.03369 163.8
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