CID 107841

Ethacizine

Structural Information

Molecular Formula
C22H27N3O3S
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC
InChI
InChI=1S/C22H27N3O3S/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)
InChIKey
PQXGNJKJMFUPPM-UHFFFAOYSA-N
Compound name
ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

87
References

230
Patents

413.1773 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18458 197.0
[M+Na]+ 436.16652 207.0
[M+NH4]+ 431.21112 203.7
[M+K]+ 452.14046 198.4
[M-H]- 412.17002 199.8
[M+Na-2H]- 434.15197 200.7
[M]+ 413.17675 199.5
[M]- 413.17785 199.5
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