CID 9846516

220051-79-6

Structural Information

Molecular Formula
C27H36N4O2
SMILES
CC1=C2CC[C@H](CC2=C(C=C1)N3CCN(CC3)C)NC(=O)C4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C27H36N4O2/c1-20-3-10-26(31-13-11-29(2)12-14-31)25-19-22(6-9-24(20)25)28-27(32)21-4-7-23(8-5-21)30-15-17-33-18-16-30/h3-5,7-8,10,22H,6,9,11-19H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKey
IHDRUIHIJWCTIY-JOCHJYFZSA-N
Compound name
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

167
Patents

448.2838 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.29108 215.5
[M+Na]+ 471.27302 228.1
[M+NH4]+ 466.31762 222.3
[M+K]+ 487.24696 219.8
[M-H]- 447.27652 224.2
[M+Na-2H]- 469.25847 221.2
[M]+ 448.28325 219.6
[M]- 448.28435 219.6
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