CID 34633

Moricizine

Structural Information

Molecular Formula
C22H25N3O4S
SMILES
CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4
InChI
InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)
InChIKey
FUBVWMNBEHXPSU-UHFFFAOYSA-N
Compound name
ethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

389
References

5154
Patents

427.1566 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16388 197.6
[M+Na]+ 450.14582 200.8
[M-H]- 426.14932 201.8
[M+NH4]+ 445.19042 204.8
[M+K]+ 466.11976 197.3
[M+H-H2O]+ 410.15386 187.4
[M+HCOO]- 472.15480 204.8
[M+CH3COO]- 486.17045 204.1
[M+Na-2H]- 448.13127 199.6
[M]+ 427.15605 198.4
[M]- 427.15715 198.4
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