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]+ 279.149176 164.5
[M+Na]+ 301.131118 173.1
[M-H]- 277.134624 172.1
[M+NH4]+ 296.175723 181.4
[M+K]+ 317.105058 168.3
[M+H-H2O]+ 261.139160 156.4
[M+HCOO]- 323.140101 183.4
[M+CH3COO]- 337.155751 176.3
[M+Na-2H]- 299.116566 168.7
[M]+ 278.14135142 162.9
[M]- 278.14244858 162.9
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.