CID 215904

10h-phenothiazine-10-carboxamide, 2-chloro-n-methyl-n-(2-(methyl(2-phenylethyl)amino)ethyl)-,monohydrochloride

Structural Information

Molecular Formula
C25H26ClN3OS
SMILES
CN(CCC1=CC=CC=C1)CCN(C)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C25H26ClN3OS/c1-27(15-14-19-8-4-3-5-9-19)16-17-28(2)25(30)29-21-10-6-7-11-23(21)31-24-13-12-20(26)18-22(24)29/h3-13,18H,14-17H2,1-2H3
InChIKey
YLVZZJCKFUJVMV-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1485 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.15578 205.6
[M+Na]+ 474.13772 210.9
[M-H]- 450.14122 213.6
[M+NH4]+ 469.18232 216.8
[M+K]+ 490.11166 204.8
[M+H-H2O]+ 434.14576 195.7
[M+HCOO]- 496.14670 215.6
[M+CH3COO]- 510.16235 213.6
[M+Na-2H]- 472.12317 207.7
[M]+ 451.14795 211.9
[M]- 451.14905 211.9
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.