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

23
Patents

249.0669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07418 153.9
[M+Na]+ 272.05612 170.4
[M+NH4]+ 267.10072 163.1
[M+K]+ 288.03006 162.1
[M-H]- 248.05962 159.1
[M+Na-2H]- 270.04157 162.1
[M]+ 249.06635 158.1
[M]- 249.06745 158.1
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

patents stripe