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]+ 246.16010 157.1
[M+Na]+ 268.14204 166.0
[M-H]- 244.14554 159.0
[M+NH4]+ 263.18664 173.1
[M+K]+ 284.11598 161.5
[M+H-H2O]+ 228.15008 148.6
[M+HCOO]- 290.15102 178.6
[M+CH3COO]- 304.16667 198.8
[M+Na-2H]- 266.12749 164.1
[M]+ 245.15227 159.7
[M]- 245.15337 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.