CID 3057816

F 1652

Structural Information

Molecular Formula
C21H26N3OS
SMILES
CC[N+]1(CCCC1CNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C
InChI
InChI=1S/C21H25N3OS/c1-3-24(2)14-8-9-16(24)15-22-21(25)23-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)23/h4-7,10-13,16H,3,8-9,14-15H2,1-2H3/p+1
InChIKey
XIOKHSDEOSMUOR-UHFFFAOYSA-O
Compound name
N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18694 182.2
[M+Na]+ 391.16888 196.3
[M+NH4]+ 386.21348 193.8
[M+K]+ 407.14282 186.3
[M-H]- 367.17238 188.6
[M+Na-2H]- 389.15433 190.2
[M]+ 368.17911 187.0
[M]- 368.18021 187.0
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.