CID 467415

8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3,7-triol

Structural Information

Molecular Formula
C17H19ClN2O3S
SMILES
CN(C)CCCN1C2=CC(=C(C=C2SC3=CC(=C(C=C31)Cl)O)O)O
InChI
InChI=1S/C17H19ClN2O3S/c1-19(2)4-3-5-20-11-6-10(18)13(21)8-16(11)24-17-9-15(23)14(22)7-12(17)20/h6-9,21-23H,3-5H2,1-2H3
InChIKey
NFINMAJWHYKFBM-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.0805 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08778 178.4
[M+Na]+ 389.06972 187.4
[M-H]- 365.07322 180.0
[M+NH4]+ 384.11432 192.2
[M+K]+ 405.04366 181.2
[M+H-H2O]+ 349.07776 172.8
[M+HCOO]- 411.07870 185.0
[M+CH3COO]- 425.09435 215.3
[M+Na-2H]- 387.05517 180.3
[M]+ 366.07995 184.2
[M]- 366.08105 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.