CID 4961945

2-(morpholin-4-yl)-1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1COCCN1C2=NC3=C(O2)C=C(C=C3)N
InChI
InChI=1S/C11H13N3O2/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
InChIKey
QAZCAIYMTLZRFY-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 145.7
[M+Na]+ 242.089988 154.2
[M-H]- 218.093494 151.6
[M+NH4]+ 237.134593 161.0
[M+K]+ 258.063928 152.9
[M+H-H2O]+ 202.098030 137.6
[M+HCOO]- 264.098971 165.2
[M+CH3COO]- 278.114621 158.4
[M+Na-2H]- 240.075436 152.8
[M]+ 219.10022142 144.8
[M]- 219.10131858 144.8
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

patents stripe