CID 213908

Brn 1006828

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1C2C(N=C(OC2C3=CC=CC=C31)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H15ClN2O/c18-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)21-17(19)20-15/h1-8,14-16H,9H2,(H2,19,20)
InChIKey
QQPSRWPENLYVTJ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4,4a,5,9b-tetrahydroindeno[2,1-e][1,3]oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 166.9
[M+Na]+ 321.07650 182.9
[M+NH4]+ 316.12110 177.4
[M+K]+ 337.05044 175.6
[M-H]- 297.08000 174.3
[M+Na-2H]- 319.06195 173.9
[M]+ 298.08673 171.8
[M]- 298.08783 171.8
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.