CID 174095

65274-45-5

Structural Information

Molecular Formula
C20H23N3OS
SMILES
CCN1CCCC1CNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H23N3OS/c1-2-22-13-7-8-15(22)14-21-20(24)23-16-9-3-5-11-18(16)25-19-12-6-4-10-17(19)23/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,21,24)
InChIKey
OEJZFSRAGNSJSG-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1562 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16348 182.2
[M+Na]+ 376.14542 188.3
[M-H]- 352.14892 187.1
[M+NH4]+ 371.19002 196.6
[M+K]+ 392.11936 182.1
[M+H-H2O]+ 336.15346 173.6
[M+HCOO]- 398.15440 193.7
[M+CH3COO]- 412.17005 191.1
[M+Na-2H]- 374.13087 182.7
[M]+ 353.15565 181.6
[M]- 353.15675 181.6
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.