CID 3054211

Brn 0734469

Structural Information

Molecular Formula
C24H28N6O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NCC2=CC=CC=N2)CC(=O)NCC3=CC=NC=C3)CC
InChI
InChI=1S/C24H28N6O5/c1-3-24(4-2)21(33)29(15-19(31)27-13-17-8-11-25-12-9-17)23(35)30(22(24)34)16-20(32)28-14-18-7-5-6-10-26-18/h5-12H,3-4,13-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKey
NICCPGQIOWHIKO-UHFFFAOYSA-N
Compound name
2-[5,5-diethyl-2,4,6-trioxo-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-diazinan-1-yl]-N-(pyridin-4-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.21213 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21941 214.4
[M+Na]+ 503.20135 218.5
[M-H]- 479.20485 218.2
[M+NH4]+ 498.24595 217.1
[M+K]+ 519.17529 213.8
[M+H-H2O]+ 463.20939 201.9
[M+HCOO]- 525.21033 228.8
[M+CH3COO]- 539.22598 243.0
[M+Na-2H]- 501.18680 214.7
[M]+ 480.21158 215.1
[M]- 480.21268 215.1
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.