CID 54060

Bb 39

Structural Information

Molecular Formula
C23H31N3O4
SMILES
CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CCN3CCOCC3)CC=C
InChI
InChI=1S/C23H31N3O4/c1-4-10-23(18(2)3)20(27)25(12-11-24-13-15-30-16-14-24)22(29)26(21(23)28)17-19-8-6-5-7-9-19/h4-9,18H,1,10-17H2,2-3H3
InChIKey
IPKROLZUJSTOMS-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-morpholin-4-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.23145 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.23873 202.8
[M+Na]+ 436.22067 206.8
[M-H]- 412.22417 207.4
[M+NH4]+ 431.26527 209.0
[M+K]+ 452.19461 202.9
[M+H-H2O]+ 396.22871 191.2
[M+HCOO]- 458.22965 212.2
[M+CH3COO]- 472.24530 227.1
[M+Na-2H]- 434.20612 199.9
[M]+ 413.23090 200.4
[M]- 413.23200 200.4
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.