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 185.8
[M+Na]+ 401.10610 194.6
[M-H]- 377.10960 190.8
[M+NH4]+ 396.15070 201.0
[M+K]+ 417.08004 189.6
[M+H-H2O]+ 361.11414 178.3
[M+HCOO]- 423.11508 195.9
[M+CH3COO]- 437.13073 224.5
[M+Na-2H]- 399.09155 187.8
[M]+ 378.11633 195.5
[M]- 378.11743 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