CID 63573

75159-41-0

Structural Information

Molecular Formula
C13H17N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CN(CCO)CCO
InChI
InChI=1S/C13H17N3O3/c17-7-5-15(6-8-18)10-16-9-14-12-4-2-1-3-11(12)13(16)19/h1-4,9,17-18H,5-8,10H2
InChIKey
ALVYNVOVLAGOGC-UHFFFAOYSA-N
Compound name
3-[[bis(2-hydroxyethyl)amino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 158.9
[M+Na]+ 286.11620 170.7
[M+NH4]+ 281.16080 165.0
[M+K]+ 302.09014 165.0
[M-H]- 262.11970 159.5
[M+Na-2H]- 284.10165 163.9
[M]+ 263.12643 160.4
[M]- 263.12753 160.4
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.