CID 3049787

Brn 1164631

Structural Information

Molecular Formula
C17H15Cl3N2OS
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)N(CCCl)CCCl
InChI
InChI=1S/C17H15Cl3N2OS/c18-7-9-21(10-8-19)17(23)22-13-3-1-2-4-15(13)24-16-6-5-12(20)11-14(16)22/h1-6,11H,7-10H2
InChIKey
OLIQOWWBGGPEBH-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(2-chloroethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.99707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00435 181.4
[M+Na]+ 422.98629 189.9
[M-H]- 398.98979 184.6
[M+NH4]+ 418.03089 195.9
[M+K]+ 438.96023 183.4
[M+H-H2O]+ 382.99433 176.0
[M+HCOO]- 444.99527 181.4
[M+CH3COO]- 459.01092 190.4
[M+Na-2H]- 420.97174 183.2
[M]+ 399.99652 188.4
[M]- 399.99762 188.4
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.