CID 63731

Nsc 5464

Structural Information

Molecular Formula
C14H19N3O
SMILES
CCN(CC)CCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C14H19N3O/c1-3-16(4-2)9-10-17-11-15-13-8-6-5-7-12(13)14(17)18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
FTJRCOVCWNNAJG-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 156.7
[M+Na]+ 268.14204 164.8
[M-H]- 244.14554 159.7
[M+NH4]+ 263.18664 173.1
[M+K]+ 284.11598 161.7
[M+H-H2O]+ 228.15008 147.9
[M+HCOO]- 290.15102 178.7
[M+CH3COO]- 304.16667 201.0
[M+Na-2H]- 266.12749 163.8
[M]+ 245.15227 160.2
[M]- 245.15337 160.2
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.