CID 3052638

Brn 0429063

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42
InChI
InChI=1S/C19H22N2O/c1-2-19(11-15(20)12-19)21-16-8-4-3-7-14(16)13-22-18-10-6-5-9-17(18)21/h3-10,15H,2,11-13,20H2,1H3
InChIKey
VKZFMHGJBQIBIN-UHFFFAOYSA-N
Compound name
3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-ethylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 169.4
[M+Na]+ 317.16244 177.3
[M+NH4]+ 312.20704 175.5
[M+K]+ 333.13638 170.9
[M-H]- 293.16594 172.8
[M+Na-2H]- 315.14789 174.1
[M]+ 294.17267 170.8
[M]- 294.17377 170.8
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.