CID 204500

Iminodibenzyl derivative 16

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C21H26N2O/c1-3-22(4-2)16-15-21(24)23-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)23/h5-12H,3-4,13-16H2,1-2H3
InChIKey
RWWJDQTVNWRYOA-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 177.0
[M+Na]+ 345.19372 181.3
[M-H]- 321.19722 182.6
[M+NH4]+ 340.23832 191.6
[M+K]+ 361.16766 181.3
[M+H-H2O]+ 305.20176 169.6
[M+HCOO]- 367.20270 195.0
[M+CH3COO]- 381.21835 216.9
[M+Na-2H]- 343.17917 181.1
[M]+ 322.20395 176.0
[M]- 322.20505 176.0
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.