CID 21717193

4-(4-chloroquinazolin-6-yl)morpholine

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
C1COCCN1C2=CC3=C(C=C2)N=CN=C3Cl
InChI
InChI=1S/C12H12ClN3O/c13-12-10-7-9(16-3-5-17-6-4-16)1-2-11(10)14-8-15-12/h1-2,7-8H,3-6H2
InChIKey
ATRZVHJSCCURLJ-UHFFFAOYSA-N
Compound name
4-(4-chloroquinazolin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

249.0669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.074176 154.0
[M+Na]+ 272.056118 162.5
[M-H]- 248.059624 157.1
[M+NH4]+ 267.100723 167.2
[M+K]+ 288.030058 158.2
[M+H-H2O]+ 232.064160 144.1
[M+HCOO]- 294.065101 164.9
[M+CH3COO]- 308.080751 164.9
[M+Na-2H]- 270.041566 161.5
[M]+ 249.06635142 153.0
[M]- 249.06744858 153.0
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

patents stripe