CID 6917898

Actisomide

Structural Information

Molecular Formula
C23H35N3O
SMILES
CC1=NC(=O)[C@]([C@@H]2N1CCCC2)(CCN(C(C)C)C(C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H35N3O/c1-17(2)25(18(3)4)16-14-23(20-11-7-6-8-12-20)21-13-9-10-15-26(21)19(5)24-22(23)27/h6-8,11-12,17-18,21H,9-10,13-16H2,1-5H3/t21-,23-/m1/s1
InChIKey
QAHRRCMLXFLZTF-FYYLOGMGSA-N
Compound name
(4R,4aR)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

262
Patents

369.278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.28528 194.2
[M+Na]+ 392.26722 205.1
[M+NH4]+ 387.31182 202.8
[M+K]+ 408.24116 196.0
[M-H]- 368.27072 198.2
[M+Na-2H]- 390.25267 200.1
[M]+ 369.27745 197.0
[M]- 369.27855 197.0
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