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

2
Patents

376.06485 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.072126 181.6
[M+Na]+ 399.054068 189.1
[M-H]- 375.057574 185.0
[M+NH4]+ 394.098673 195.6
[M+K]+ 415.028008 183.4
[M+H-H2O]+ 359.062110 174.8
[M+HCOO]- 421.063051 190.4
[M+CH3COO]- 435.078701 216.4
[M+Na-2H]- 397.039516 184.7
[M]+ 376.06430142 187.8
[M]- 376.06539858 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