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]+ 293.16081 165.2
[M+Na]+ 315.14275 171.1
[M-H]- 291.14625 165.4
[M+NH4]+ 310.18735 177.6
[M+K]+ 331.11669 167.7
[M+H-H2O]+ 275.15079 156.2
[M+HCOO]- 337.15173 185.7
[M+CH3COO]- 351.16738 205.5
[M+Na-2H]- 313.12820 172.2
[M]+ 292.15298 167.1
[M]- 292.15408 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.