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]+ 414.238726 202.8
[M+Na]+ 436.220668 206.8
[M-H]- 412.224174 207.4
[M+NH4]+ 431.265273 209.0
[M+K]+ 452.194608 202.9
[M+H-H2O]+ 396.228710 191.2
[M+HCOO]- 458.229651 212.2
[M+CH3COO]- 472.245301 227.1
[M+Na-2H]- 434.206116 199.9
[M]+ 413.23090142 200.4
[M]- 413.23199858 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.