CID 3049814

F 1444

Structural Information

Molecular Formula
C20H22ClN3OS
SMILES
CCN1CCCC1CNC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H22ClN3OS/c1-2-23-11-5-6-15(23)13-22-20(25)24-16-7-3-4-8-18(16)26-19-10-9-14(21)12-17(19)24/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,25)
InChIKey
NHUUVWYCDMRNJZ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.11722 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12450 190.0
[M+Na]+ 410.10644 197.5
[M-H]- 386.10994 195.0
[M+NH4]+ 405.15104 204.1
[M+K]+ 426.08038 190.2
[M+H-H2O]+ 370.11448 182.1
[M+HCOO]- 432.11542 196.7
[M+CH3COO]- 446.13107 198.7
[M+Na-2H]- 408.09189 189.3
[M]+ 387.11667 191.9
[M]- 387.11777 191.9
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.