CID 71494

Propyromazine bromide

Structural Information

Molecular Formula
C20H23N2OS
SMILES
CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)C
InChI
InChI=1S/C20H23N2OS/c1-15(22(2)13-7-8-14-22)20(23)21-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)21/h3-6,9-12,15H,7-8,13-14H2,1-2H3/q+1
InChIKey
YKNNBQKAAWCISH-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

2777
Patents

339.1531 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16038 179.3
[M+Na]+ 362.14232 185.3
[M-H]- 338.14582 184.4
[M+NH4]+ 357.18692 196.0
[M+K]+ 378.11626 174.4
[M+H-H2O]+ 322.15036 173.5
[M+HCOO]- 384.15130 188.1
[M+CH3COO]- 398.16695 202.4
[M+Na-2H]- 360.12777 181.9
[M]+ 339.15255 176.7
[M]- 339.15365 176.7
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