CID 34589

Ketone, tert-butylaminoacetyl (10,11-dihydro-5h-dibenz(b,f)azepin-5-yl), hydrochloride

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC(C)(C)NCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C20H24N2O/c1-20(2,3)21-14-19(23)22-17-10-6-4-8-15(17)12-13-16-9-5-7-11-18(16)22/h4-11,21H,12-14H2,1-3H3
InChIKey
QKQYWVYQQGFZDT-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 173.8
[M+Na]+ 331.178088 178.9
[M-H]- 307.181594 178.7
[M+NH4]+ 326.222693 188.6
[M+K]+ 347.152028 178.6
[M+H-H2O]+ 291.186130 167.4
[M+HCOO]- 353.187071 190.2
[M+CH3COO]- 367.202721 210.7
[M+Na-2H]- 329.163536 179.9
[M]+ 308.18832142 170.9
[M]- 308.18941858 170.9
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.