CID 788107

10-(2-methyl-allyl)-10h-phenothiazine

Structural Information

Molecular Formula
C16H15NS
SMILES
CC(=C)CN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H15NS/c1-12(2)11-17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3
InChIKey
VDZPUHLYWJVGPH-UHFFFAOYSA-N
Compound name
10-(2-methylprop-2-enyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

253.09251 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09979 154.3
[M+Na]+ 276.08173 162.7
[M-H]- 252.08523 158.0
[M+NH4]+ 271.12633 172.8
[M+K]+ 292.05567 156.9
[M+H-H2O]+ 236.08977 147.2
[M+HCOO]- 298.09071 167.7
[M+CH3COO]- 312.10636 165.9
[M+Na-2H]- 274.06718 159.1
[M]+ 253.09196 155.1
[M]- 253.09306 155.1
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