CID 115856

63918-68-3

Structural Information

Molecular Formula
C20H23N
SMILES
C1CCC(CC1)N2CC3=CC=CC=C3C4=CC=CC=C4C2
InChI
InChI=1S/C20H23N/c1-2-10-18(11-3-1)21-14-16-8-4-6-12-19(16)20-13-7-5-9-17(20)15-21/h4-9,12-13,18H,1-3,10-11,14-15H2
InChIKey
IUWNEWJWRCZZLG-UHFFFAOYSA-N
Compound name
6-cyclohexyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.18304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 166.1
[M+Na]+ 300.17226 169.9
[M-H]- 276.17576 172.6
[M+NH4]+ 295.21686 181.3
[M+K]+ 316.14620 167.2
[M+H-H2O]+ 260.18030 158.5
[M+HCOO]- 322.18124 180.6
[M+CH3COO]- 336.19689 175.4
[M+Na-2H]- 298.15771 170.8
[M]+ 277.18249 157.3
[M]- 277.18359 157.3
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