CID 28315

2095-20-7

Structural Information

Molecular Formula
C16H18N2S
SMILES
CNCCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3
InChIKey
WOCOVPRTRIBGFZ-UHFFFAOYSA-N
Compound name
N-methyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

20
Patents

270.11908 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12636 157.5
[M+Na]+ 293.10830 165.1
[M-H]- 269.11180 160.9
[M+NH4]+ 288.15290 175.1
[M+K]+ 309.08224 159.2
[M+H-H2O]+ 253.11634 149.9
[M+HCOO]- 315.11728 172.7
[M+CH3COO]- 329.13293 168.6
[M+Na-2H]- 291.09375 164.1
[M]+ 270.11853 158.9
[M]- 270.11963 158.9
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

No patent data available for this compound.