CID 87327

17831-98-0

Structural Information

Molecular Formula
C19H23ClN2O2S
SMILES
CN(C)CCCN1C2=CC(=C(C=C2SC3=C1C=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C19H23ClN2O2S/c1-21(2)8-5-9-22-14-10-13(20)6-7-18(14)25-19-12-17(24-4)16(23-3)11-15(19)22/h6-7,10-12H,5,8-9H2,1-4H3
InChIKey
BQDFHACIOUBBDF-UHFFFAOYSA-N
Compound name
3-(8-chloro-2,3-dimethoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

378.11688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12416 186.9
[M+Na]+ 401.10610 201.7
[M+NH4]+ 396.15070 196.3
[M+K]+ 417.08004 190.6
[M-H]- 377.10960 191.3
[M+Na-2H]- 399.09155 192.3
[M]+ 378.11633 191.3
[M]- 378.11743 191.3
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