CID 3052639

Brn 0437574

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC(C)C1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42
InChI
InChI=1S/C20H24N2O/c1-14(2)20(11-16(21)12-20)22-17-8-4-3-7-15(17)13-23-19-10-6-5-9-18(19)22/h3-10,14,16H,11-13,21H2,1-2H3
InChIKey
XZTPMUONTXTELR-UHFFFAOYSA-N
Compound name
3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-propan-2-ylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 176.7
[M+Na]+ 331.178088 181.8
[M-H]- 307.181594 184.4
[M+NH4]+ 326.222693 185.6
[M+K]+ 347.152028 183.6
[M+H-H2O]+ 291.186130 165.1
[M+HCOO]- 353.187071 191.1
[M+CH3COO]- 367.202721 185.9
[M+Na-2H]- 329.163536 180.6
[M]+ 308.18832142 180.6
[M]- 308.18941858 180.6
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.