CID 71823

Etymemazine hydrochloride

Structural Information

Molecular Formula
C20H26N2S
SMILES
CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)CN(C)C
InChI
InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3
InChIKey
USKHCLAXJXCWMO-UHFFFAOYSA-N
Compound name
3-(2-ethylphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

419
Patents

326.18167 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18895 177.2
[M+Na]+ 349.17089 190.9
[M+NH4]+ 344.21549 187.3
[M+K]+ 365.14483 179.9
[M-H]- 325.17439 182.3
[M+Na-2H]- 347.15634 183.4
[M]+ 326.18112 181.3
[M]- 326.18222 181.3
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