CID 213907

Brn 1003040

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3OC(=N2)N
InChI
InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-15-10-13-4-2-3-5-14(13)17(15)21-18(19)20-16/h2-9,15-17H,10H2,1H3,(H2,19,20)
InChIKey
LXIZACHRBPHSME-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-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

278.1419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 165.1
[M+Na]+ 301.13112 180.0
[M+NH4]+ 296.17572 175.2
[M+K]+ 317.10506 173.5
[M-H]- 277.13462 172.5
[M+Na-2H]- 299.11657 171.7
[M]+ 278.14135 169.5
[M]- 278.14245 169.5
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

No patent data available for this compound.