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]+ 246.160096 156.7
[M+Na]+ 268.142038 164.8
[M-H]- 244.145544 159.7
[M+NH4]+ 263.186643 173.1
[M+K]+ 284.115978 161.7
[M+H-H2O]+ 228.150080 147.9
[M+HCOO]- 290.151021 178.7
[M+CH3COO]- 304.166671 201.0
[M+Na-2H]- 266.127486 163.8
[M]+ 245.15227142 160.2
[M]- 245.15336858 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.