CID 5275454

3-benzo[c]phenothiazin-7-ylpropyl(trimethyl)ammonium

Structural Information

Molecular Formula
C22H25N2S
SMILES
C[N+](C)(C)CCCN1C2=C(C3=CC=CC=C3C=C2)SC4=CC=CC=C41
InChI
InChI=1S/C22H25N2S/c1-24(2,3)16-8-15-23-19-11-6-7-12-21(19)25-22-18-10-5-4-9-17(18)13-14-20(22)23/h4-7,9-14H,8,15-16H2,1-3H3/q+1
InChIKey
WUJIUSKTUBRXKG-UHFFFAOYSA-N
Compound name
3-benzo[c]phenothiazin-7-ylpropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

349.17386 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18114 180.3
[M+Na]+ 372.16308 187.3
[M-H]- 348.16658 185.6
[M+NH4]+ 367.20768 196.0
[M+K]+ 388.13702 175.4
[M+H-H2O]+ 332.17112 174.0
[M+HCOO]- 394.17206 192.3
[M+CH3COO]- 408.18771 214.3
[M+Na-2H]- 370.14853 189.5
[M]+ 349.17331 182.0
[M]- 349.17441 182.0
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.