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 185.0
[M+Na]+ 391.16888 191.0
[M-H]- 367.17238 190.0
[M+NH4]+ 386.21348 200.6
[M+K]+ 407.14282 179.2
[M+H-H2O]+ 351.17692 178.9
[M+HCOO]- 413.17786 195.5
[M+CH3COO]- 427.19351 209.7
[M+Na-2H]- 389.15433 188.7
[M]+ 368.17911 183.1
[M]- 368.18021 183.1
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.