CID 53984

77967-10-3

Structural Information

Molecular Formula
C20H27N2S
SMILES
CC[N+](C)(CC)CCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C20H27N2S/c1-4-22(3,5-2)16-10-15-21-17-11-6-8-13-19(17)23-20-14-9-7-12-18(20)21/h6-9,11-14H,4-5,10,15-16H2,1-3H3/q+1
InChIKey
NMKHLTHVOLYSKH-UHFFFAOYSA-N
Compound name
diethyl-methyl-(3-phenothiazin-10-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19676 174.2
[M+Na]+ 350.17870 190.2
[M+NH4]+ 345.22330 185.7
[M+K]+ 366.15264 179.0
[M-H]- 326.18220 180.9
[M+Na-2H]- 348.16415 182.6
[M]+ 327.18893 179.6
[M]- 327.19003 179.6
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.