CID 63877

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

Structural Information

Molecular Formula
C12H16N4O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CNCNCCO
InChI
InChI=1S/C12H16N4O2/c17-6-5-13-7-14-8-16-9-15-11-4-2-1-3-10(11)12(16)18/h1-4,9,13-14,17H,5-8H2
InChIKey
DNYIOSUPAXAMSW-UHFFFAOYSA-N
Compound name
3-[[(2-hydroxyethylamino)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.12732 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13460 153.1
[M+Na]+ 271.11654 160.5
[M-H]- 247.12004 153.6
[M+NH4]+ 266.16114 167.6
[M+K]+ 287.09048 156.2
[M+H-H2O]+ 231.12458 144.6
[M+HCOO]- 293.12552 175.1
[M+CH3COO]- 307.14117 196.4
[M+Na-2H]- 269.10199 162.3
[M]+ 248.12677 153.6
[M]- 248.12787 153.6
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.