CID 409034

Nsc17787

Structural Information

Molecular Formula
C18H18N4O3
SMILES
C1C(=O)N(C(=O)N(C1=O)CCC2=CC=NC=C2)CCC3=CC=NC=C3
InChI
InChI=1S/C18H18N4O3/c23-16-13-17(24)22(12-6-15-3-9-20-10-4-15)18(25)21(16)11-5-14-1-7-19-8-2-14/h1-4,7-10H,5-6,11-13H2
InChIKey
KLWQWPUYNMSNRV-UHFFFAOYSA-N
Compound name
1,3-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13788 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 182.4
[M+Na]+ 361.12710 189.5
[M-H]- 337.13060 186.0
[M+NH4]+ 356.17170 189.5
[M+K]+ 377.10104 183.4
[M+H-H2O]+ 321.13514 169.8
[M+HCOO]- 383.13608 197.7
[M+CH3COO]- 397.15173 210.6
[M+Na-2H]- 359.11255 184.6
[M]+ 338.13733 181.2
[M]- 338.13843 181.2
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.