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 163.0
[M+Na]+ 309.10320 176.7
[M+NH4]+ 304.14780 172.8
[M+K]+ 325.07714 166.2
[M-H]- 285.10670 167.1
[M+Na-2H]- 307.08865 169.2
[M]+ 286.11343 166.7
[M]- 286.11453 166.7
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.