CID 3790796

763126-07-4

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)N3CCOCC3
InChI
InChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)20(23)10-11-21-18-6-8-19(9-7-18)22-12-14-24-15-13-22/h2-9,21H,10-15H2,1H3
InChIKey
FJVBMSBAZRNKSN-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(4-morpholin-4-ylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 179.5
[M+Na]+ 347.172998 182.6
[M-H]- 323.176504 187.0
[M+NH4]+ 342.217603 189.6
[M+K]+ 363.146938 179.0
[M+H-H2O]+ 307.181040 168.8
[M+HCOO]- 369.181981 197.1
[M+CH3COO]- 383.197631 211.0
[M+Na-2H]- 345.158446 182.2
[M]+ 324.18323142 176.3
[M]- 324.18432858 176.3
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.