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]+ 249.134596 153.1
[M+Na]+ 271.116538 160.5
[M-H]- 247.120044 153.6
[M+NH4]+ 266.161143 167.6
[M+K]+ 287.090478 156.2
[M+H-H2O]+ 231.124580 144.6
[M+HCOO]- 293.125521 175.1
[M+CH3COO]- 307.141171 196.4
[M+Na-2H]- 269.101986 162.3
[M]+ 248.12677142 153.6
[M]- 248.12786858 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.