CID 3049786

65240-96-2

Structural Information

Molecular Formula
C17H16Cl2N2OS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)N(CCCl)CCCl
InChI
InChI=1S/C17H16Cl2N2OS/c18-9-11-20(12-10-19)17(22)21-13-5-1-3-7-15(13)23-16-8-4-2-6-14(16)21/h1-8H,9-12H2
InChIKey
DAOQXOMAPLHZKD-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.03604 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04332 176.7
[M+Na]+ 389.02526 184.6
[M-H]- 365.02876 180.7
[M+NH4]+ 384.06986 192.3
[M+K]+ 404.99920 178.3
[M+H-H2O]+ 349.03330 170.4
[M+HCOO]- 411.03424 181.9
[M+CH3COO]- 425.04989 186.5
[M+Na-2H]- 387.01071 180.1
[M]+ 366.03549 183.1
[M]- 366.03659 183.1
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

No patent data available for this compound.