CID 379233

Nsc663647

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CCN(CC)CCN1C(=O)C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H21N3O3/c1-3-20(4-2)12-13-21-17(23)18(24)22(19(21)25)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3
InChIKey
HAPAOVFWBVUWPS-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3-naphthalen-1-ylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 180.7
[M+Na]+ 362.14752 188.5
[M-H]- 338.15102 187.0
[M+NH4]+ 357.19212 194.8
[M+K]+ 378.12146 184.3
[M+H-H2O]+ 322.15556 171.3
[M+HCOO]- 384.15650 200.9
[M+CH3COO]- 398.17215 218.5
[M+Na-2H]- 360.13297 180.8
[M]+ 339.15775 183.8
[M]- 339.15885 183.8
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.