CID 213613

Brn 0996842

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1C2C(N=C(OC2C3=CC=CC=C31)N)C4=CC=CC=C4
InChI
InChI=1S/C17H16N2O/c18-17-19-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16(14)20-17/h1-9,14-16H,10H2,(H2,18,19)
InChIKey
BNRPQSTXCGOQJS-UHFFFAOYSA-N
Compound name
4-phenyl-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

264.12625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 158.8
[M+Na]+ 287.11547 167.0
[M-H]- 263.11897 166.2
[M+NH4]+ 282.16007 176.0
[M+K]+ 303.08941 162.3
[M+H-H2O]+ 247.12351 150.7
[M+HCOO]- 309.12445 178.1
[M+CH3COO]- 323.14010 170.7
[M+Na-2H]- 285.10092 164.4
[M]+ 264.12570 156.5
[M]- 264.12680 156.5
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