CID 3080665

3-hdmmp

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CNCCCN1C2=C(C=C(C=C2)O)SC3=CC=CC=C31
InChI
InChI=1S/C16H18N2OS/c1-17-9-4-10-18-13-5-2-3-6-15(13)20-16-11-12(19)7-8-14(16)18/h2-3,5-8,11,17,19H,4,9-10H2,1H3
InChIKey
KPNZJQVYAKBDDT-UHFFFAOYSA-N
Compound name
10-[3-(methylamino)propyl]phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.11398 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 161.2
[M+Na]+ 309.10320 169.0
[M-H]- 285.10670 163.5
[M+NH4]+ 304.14780 177.6
[M+K]+ 325.07714 162.8
[M+H-H2O]+ 269.11124 154.0
[M+HCOO]- 331.11218 175.0
[M+CH3COO]- 345.12783 171.8
[M+Na-2H]- 307.08865 166.9
[M]+ 286.11343 162.7
[M]- 286.11453 162.7
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.