CID 84362

Brn 1085173

Structural Information

Molecular Formula
C15H15ClN2OS
SMILES
C1=CC2=C(C=C1O)N(C3=C(S2)C=CC(=C3)Cl)CCCN
InChI
InChI=1S/C15H15ClN2OS/c16-10-2-4-14-12(8-10)18(7-1-6-17)13-9-11(19)3-5-15(13)20-14/h2-5,8-9,19H,1,6-7,17H2
InChIKey
KVHMBHHFQISDGF-UHFFFAOYSA-N
Compound name
10-(3-aminopropyl)-8-chlorophenothiazin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06664 163.7
[M+Na]+ 329.04858 173.5
[M-H]- 305.05208 166.0
[M+NH4]+ 324.09318 180.3
[M+K]+ 345.02252 166.0
[M+H-H2O]+ 289.05662 158.0
[M+HCOO]- 351.05756 172.7
[M+CH3COO]- 365.07321 174.4
[M+Na-2H]- 327.03403 167.9
[M]+ 306.05881 166.5
[M]- 306.05991 166.5
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

No patent data available for this compound.