CID 6446541

2-buten-1-one, 3-(4-morpholinyl)-1-(2-phenyl-1h-indol-3-yl)-

Structural Information

Molecular Formula
C22H22N2O2
SMILES
C/C(=C/C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/N4CCOCC4
InChI
InChI=1S/C22H22N2O2/c1-16(24-11-13-26-14-12-24)15-20(25)21-18-9-5-6-10-19(18)23-22(21)17-7-3-2-4-8-17/h2-10,15,23H,11-14H2,1H3/b16-15-
InChIKey
KFTAKGDZIDBXCD-NXVVXOECSA-N
Compound name
(Z)-3-morpholin-4-yl-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.175396 183.7
[M+Na]+ 369.157338 188.6
[M-H]- 345.160844 190.1
[M+NH4]+ 364.201943 193.9
[M+K]+ 385.131278 182.9
[M+H-H2O]+ 329.165380 173.6
[M+HCOO]- 391.166321 197.9
[M+CH3COO]- 405.181971 192.3
[M+Na-2H]- 367.142786 184.2
[M]+ 346.16757142 180.1
[M]- 346.16866858 180.1
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.