CID 16729210

Benzyl-dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)ammonium

Structural Information

Molecular Formula
C25H29N2S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)C[N+](C)(C)CC4=CC=CC=C4
InChI
InChI=1S/C25H29N2S/c1-20(18-27(2,3)19-21-11-5-4-6-12-21)17-26-22-13-7-9-15-24(22)28-25-16-10-8-14-23(25)26/h4-16,20H,17-19H2,1-3H3/q+1
InChIKey
DOMGAULNAFMXSM-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-(2-methyl-3-phenothiazin-10-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.20514 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21242 193.2
[M+Na]+ 412.19436 197.7
[M-H]- 388.19786 200.0
[M+NH4]+ 407.23896 205.6
[M+K]+ 428.16830 185.6
[M+H-H2O]+ 372.20240 185.7
[M+HCOO]- 434.20334 204.8
[M+CH3COO]- 448.21899 220.8
[M+Na-2H]- 410.17981 199.9
[M]+ 389.20459 193.5
[M]- 389.20569 193.5
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

No patent data available for this compound.