CID 63563

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

Structural Information

Molecular Formula
C14H20N4O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CNCN(CCO)CCO
InChI
InChI=1S/C14H20N4O3/c19-7-5-17(6-8-20)9-15-10-18-11-16-13-4-2-1-3-12(13)14(18)21/h1-4,11,15,19-20H,5-10H2
InChIKey
DPJHNBSZQYVOQW-UHFFFAOYSA-N
Compound name
3-[[[bis(2-hydroxyethyl)amino]methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15353 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.160806 165.2
[M+Na]+ 315.142748 171.1
[M-H]- 291.146254 165.4
[M+NH4]+ 310.187353 177.6
[M+K]+ 331.116688 167.7
[M+H-H2O]+ 275.150790 156.2
[M+HCOO]- 337.151731 185.7
[M+CH3COO]- 351.167381 205.5
[M+Na-2H]- 313.128196 172.2
[M]+ 292.15298142 167.1
[M]- 292.15407858 167.1
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.