CID 2772062

Ethyl (10-(3-chloropropanoyl)-10h-phenothiazin-2-yl)carbamate

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 181.6
[M+Na]+ 399.05407 189.1
[M-H]- 375.05757 185.0
[M+NH4]+ 394.09867 195.6
[M+K]+ 415.02801 183.4
[M+H-H2O]+ 359.06211 174.8
[M+HCOO]- 421.06305 190.4
[M+CH3COO]- 435.07870 216.4
[M+Na-2H]- 397.03952 184.7
[M]+ 376.06430 187.8
[M]- 376.06540 187.8
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