CID 3024371

Brn 1160307

Structural Information

Molecular Formula
C20H23N3OS
SMILES
C1CCN(C1)CCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H23N3OS/c24-20(15-21-11-14-22-12-5-6-13-22)23-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)23/h1-4,7-10,21H,5-6,11-15H2
InChIKey
VSRGEXWFUOGHNQ-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-yl-2-(2-pyrrolidin-1-ylethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16348 180.8
[M+Na]+ 376.14542 185.9
[M-H]- 352.14892 185.2
[M+NH4]+ 371.19002 194.8
[M+K]+ 392.11936 179.8
[M+H-H2O]+ 336.15346 172.0
[M+HCOO]- 398.15440 192.3
[M+CH3COO]- 412.17005 189.4
[M+Na-2H]- 374.13087 182.1
[M]+ 353.15565 179.9
[M]- 353.15675 179.9
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.