CID 81205920

[4-(6-aminoquinazolin-4-yl)morpholin-2-yl]methanol

Structural Information

Molecular Formula
C13H16N4O2
SMILES
C1COC(CN1C2=NC=NC3=C2C=C(C=C3)N)CO
InChI
InChI=1S/C13H16N4O2/c14-9-1-2-12-11(5-9)13(16-8-15-12)17-3-4-19-10(6-17)7-18/h1-2,5,8,10,18H,3-4,6-7,14H2
InChIKey
BLCHUJURUIXFSB-UHFFFAOYSA-N
Compound name
[4-(6-aminoquinazolin-4-yl)morpholin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 160.9
[M+Na]+ 283.116538 168.0
[M-H]- 259.120044 162.9
[M+NH4]+ 278.161143 171.9
[M+K]+ 299.090478 164.1
[M+H-H2O]+ 243.124580 150.9
[M+HCOO]- 305.125521 175.4
[M+CH3COO]- 319.141171 170.6
[M+Na-2H]- 281.101986 167.0
[M]+ 260.12677142 156.8
[M]- 260.12786858 156.8
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.