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]+ 261.170976 160.2
[M+Na]+ 283.152918 167.4
[M-H]- 259.156424 163.2
[M+NH4]+ 278.197523 175.6
[M+K]+ 299.126858 164.3
[M+H-H2O]+ 243.160960 151.0
[M+HCOO]- 305.161901 183.3
[M+CH3COO]- 319.177551 206.0
[M+Na-2H]- 281.138366 167.8
[M]+ 260.16315142 163.0
[M]- 260.16424858 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.