CID 15520829

2726492-60-8

Structural Information

Molecular Formula
C16H18N2S
SMILES
CC(CNC)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H18N2S/c1-12(11-17-2)18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10,12,17H,11H2,1-2H3
InChIKey
HEQBCRXXIPSZHD-UHFFFAOYSA-N
Compound name
N-methyl-2-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11908 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.126356 158.1
[M+Na]+ 293.108298 165.3
[M-H]- 269.111804 161.5
[M+NH4]+ 288.152903 175.6
[M+K]+ 309.082238 159.9
[M+H-H2O]+ 253.116340 150.7
[M+HCOO]- 315.117281 172.2
[M+CH3COO]- 329.132931 169.1
[M+Na-2H]- 291.093746 163.7
[M]+ 270.11853142 159.0
[M]- 270.11962858 159.0
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.