CID 114337

10-(pyrrolidinoacetyl)phenothiazine

Structural Information

Molecular Formula
C18H18N2OS
SMILES
C1CCN(C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C18H18N2OS/c21-18(13-19-11-5-6-12-19)20-14-7-1-3-9-16(14)22-17-10-4-2-8-15(17)20/h1-4,7-10H,5-6,11-13H2
InChIKey
AHLPZCFSMHPTSO-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-yl-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

310.11398 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12126 171.0
[M+Na]+ 333.10320 178.0
[M-H]- 309.10670 176.0
[M+NH4]+ 328.14780 187.1
[M+K]+ 349.07714 172.3
[M+H-H2O]+ 293.11124 162.7
[M+HCOO]- 355.11218 182.2
[M+CH3COO]- 369.12783 180.9
[M+Na-2H]- 331.08865 172.1
[M]+ 310.11343 170.0
[M]- 310.11453 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe