CID 436530

7470-04-4

Structural Information

Molecular Formula
C28H30N2O2
SMILES
C1CC2=CC=CC=C2N(C1)C(C3=CC=CC=C3)C(C(=O)C4=CC=CC=C4)N5CCOCC5
InChI
InChI=1S/C28H30N2O2/c31-28(24-13-5-2-6-14-24)27(29-18-20-32-21-19-29)26(23-11-3-1-4-12-23)30-17-9-15-22-10-7-8-16-25(22)30/h1-8,10-14,16,26-27H,9,15,17-21H2
InChIKey
STEGDHCCRABZAV-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.23074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23802 204.0
[M+Na]+ 449.21996 202.9
[M-H]- 425.22346 211.7
[M+NH4]+ 444.26456 207.6
[M+K]+ 465.19390 197.8
[M+H-H2O]+ 409.22800 189.9
[M+HCOO]- 471.22894 212.0
[M+CH3COO]- 485.24459 208.6
[M+Na-2H]- 447.20541 203.5
[M]+ 426.23019 195.4
[M]- 426.23129 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.