CID 3058355

75159-19-2

Structural Information

Molecular Formula
C14H20N4O
SMILES
CCN(CC)CNCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C14H20N4O/c1-3-17(4-2)9-15-10-18-11-16-13-8-6-5-7-12(13)14(18)19/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKey
ZGAWAZZYJLEYBL-UHFFFAOYSA-N
Compound name
3-[(diethylaminomethylamino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1637 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 160.2
[M+Na]+ 283.15292 167.4
[M-H]- 259.15642 163.2
[M+NH4]+ 278.19752 175.6
[M+K]+ 299.12686 164.3
[M+H-H2O]+ 243.16096 151.0
[M+HCOO]- 305.16190 183.3
[M+CH3COO]- 319.17755 206.0
[M+Na-2H]- 281.13837 167.8
[M]+ 260.16315 163.0
[M]- 260.16425 163.0
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.