CID 3064141

101976-40-3

Structural Information

Molecular Formula
C17H20N2S
SMILES
CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C17H20N2S/c1-4-17(18(2)3)19-13-9-5-7-11-15(13)20-16-12-8-6-10-14(16)19/h5-12,17H,4H2,1-3H3
InChIKey
WNJQAWAODSSBNR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.1347 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 163.4
[M+Na]+ 307.12392 170.1
[M-H]- 283.12742 168.0
[M+NH4]+ 302.16852 180.9
[M+K]+ 323.09786 165.9
[M+H-H2O]+ 267.13196 155.4
[M+HCOO]- 329.13290 177.5
[M+CH3COO]- 343.14855 174.3
[M+Na-2H]- 305.10937 167.6
[M]+ 284.13415 165.7
[M]- 284.13525 165.7
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