CID 3063865

2-chloro-10-pyrrolidinoacetylphenothiazine

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
CC(N1CC=CC1)(N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O
InChI
InChI=1S/C18H17ClN2OS/c1-18(22,20-10-4-5-11-20)21-14-6-2-3-7-16(14)23-17-9-8-13(19)12-15(17)21/h2-9,12,22H,10-11H2,1H3
InChIKey
RLYUYMCBFKJMDA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-1-(2,5-dihydropyrrol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.075 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08228 178.0
[M+Na]+ 367.06422 193.0
[M+NH4]+ 362.10882 188.0
[M+K]+ 383.03816 184.1
[M-H]- 343.06772 182.2
[M+Na-2H]- 365.04967 184.8
[M]+ 344.07445 182.4
[M]- 344.07555 182.4
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.