CID 169970

61733-92-4

Structural Information

Molecular Formula
C18H22N2OS
SMILES
C[C@H](CNC)CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C18H22N2OS/c1-13(11-19-2)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21-3)10-16(18)20/h4-10,13,19H,11-12H2,1-3H3/t13-/m1/s1
InChIKey
CIDGBRQEYYPJEM-CYBMUJFWSA-N
Compound name
(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

314.1453 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 171.1
[M+Na]+ 337.13452 177.9
[M-H]- 313.13802 174.4
[M+NH4]+ 332.17912 186.9
[M+K]+ 353.10846 172.8
[M+H-H2O]+ 297.14256 163.2
[M+HCOO]- 359.14350 184.6
[M+CH3COO]- 373.15915 181.2
[M+Na-2H]- 335.11997 175.0
[M]+ 314.14475 174.4
[M]- 314.14585 174.4
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

patents stripe