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]+ 264.134256 158.3
[M+Na]+ 286.116198 165.6
[M-H]- 262.119704 158.7
[M+NH4]+ 281.160803 172.3
[M+K]+ 302.090138 162.2
[M+H-H2O]+ 246.124240 149.8
[M+HCOO]- 308.125181 178.0
[M+CH3COO]- 322.140831 197.2
[M+Na-2H]- 284.101646 165.1
[M]+ 263.12643142 160.5
[M]- 263.12752858 160.5
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.