CID 64038

4(3h)-quinazolinone, 2-ethyl-3-(2-(ethylamino)ethyl)-

Structural Information

Molecular Formula
C14H19N3O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCNCC
InChI
InChI=1S/C14H19N3O/c1-3-13-16-12-8-6-5-7-11(12)14(18)17(13)10-9-15-4-2/h5-8,15H,3-4,9-10H2,1-2H3
InChIKey
IVIMVSMUBGKFLQ-UHFFFAOYSA-N
Compound name
2-ethyl-3-[2-(ethylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 157.1
[M+Na]+ 268.142038 166.0
[M-H]- 244.145544 159.0
[M+NH4]+ 263.186643 173.1
[M+K]+ 284.115978 161.5
[M+H-H2O]+ 228.150080 148.6
[M+HCOO]- 290.151021 178.6
[M+CH3COO]- 304.166671 198.8
[M+Na-2H]- 266.127486 164.1
[M]+ 245.15227142 159.7
[M]- 245.15336858 159.7
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.