CID 14414

Hexamid

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCN(CC)CC)C2=CC=CC=C2
InChI
InChI=1S/C18H25N3O3/c1-4-18(14-10-8-7-9-11-14)15(22)19-17(24)21(16(18)23)13-12-20(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3,(H,19,22,24)
InChIKey
JPSKYEDINNEHEB-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 178.9
[M+Na]+ 354.17882 184.8
[M-H]- 330.18232 182.3
[M+NH4]+ 349.22342 191.7
[M+K]+ 370.15276 181.1
[M+H-H2O]+ 314.18686 170.0
[M+HCOO]- 376.18780 196.1
[M+CH3COO]- 390.20345 214.3
[M+Na-2H]- 352.16427 179.9
[M]+ 331.18905 178.9
[M]- 331.19015 178.9
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

patents stripe