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 179.3
[M+Na]+ 367.06422 188.7
[M-H]- 343.06772 183.8
[M+NH4]+ 362.10882 194.8
[M+K]+ 383.03816 181.4
[M+H-H2O]+ 327.07226 172.4
[M+HCOO]- 389.07320 185.0
[M+CH3COO]- 403.08885 189.2
[M+Na-2H]- 365.04967 181.8
[M]+ 344.07445 181.4
[M]- 344.07555 181.4
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.