CID 2772062

34749-22-9

Structural Information

Molecular Formula
C18H17ClN2O3S
SMILES
CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCCl
InChI
InChI=1S/C18H17ClN2O3S/c1-2-24-18(23)20-12-7-8-16-14(11-12)21(17(22)9-10-19)13-5-3-4-6-15(13)25-16/h3-8,11H,2,9-10H2,1H3,(H,20,23)
InChIKey
HJLNLVIQJYXVBB-UHFFFAOYSA-N
Compound name
ethyl N-[10-(3-chloropropanoyl)phenothiazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.06485 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07213 182.8
[M+Na]+ 399.05407 195.8
[M+NH4]+ 394.09867 190.8
[M+K]+ 415.02801 186.1
[M-H]- 375.05757 185.4
[M+Na-2H]- 397.03952 187.5
[M]+ 376.06430 186.1
[M]- 376.06540 186.1
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

patents stripe