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

305
Patents

378.11688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.124156 185.8
[M+Na]+ 401.106098 194.6
[M-H]- 377.109604 190.8
[M+NH4]+ 396.150703 201.0
[M+K]+ 417.080038 189.6
[M+H-H2O]+ 361.114140 178.3
[M+HCOO]- 423.115081 195.9
[M+CH3COO]- 437.130731 224.5
[M+Na-2H]- 399.091546 187.8
[M]+ 378.11633142 195.5
[M]- 378.11742858 195.5
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