CID 64070

4(3h)-quinazolinone, 3-(((((2,2-diethoxyethyl)amino)methyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H24N4O3
SMILES
CCOC(CNCNCN1C=NC2=CC=CC=C2C1=O)OCC
InChI
InChI=1S/C16H24N4O3/c1-3-22-15(23-4-2)9-17-10-18-11-20-12-19-14-8-6-5-7-13(14)16(20)21/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3
InChIKey
JVDXTYDDWRCZFQ-UHFFFAOYSA-N
Compound name
3-[[(2,2-diethoxyethylamino)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19212 174.2
[M+Na]+ 343.17406 179.6
[M-H]- 319.17756 175.3
[M+NH4]+ 338.21866 186.1
[M+K]+ 359.14800 176.5
[M+H-H2O]+ 303.18210 164.4
[M+HCOO]- 365.18304 195.4
[M+CH3COO]- 379.19869 213.8
[M+Na-2H]- 341.15951 180.6
[M]+ 320.18429 178.6
[M]- 320.18539 178.6
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.