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]+ 309.19615 173.8
[M+Na]+ 331.17809 178.9
[M-H]- 307.18159 178.7
[M+NH4]+ 326.22269 188.6
[M+K]+ 347.15203 178.6
[M+H-H2O]+ 291.18613 167.4
[M+HCOO]- 353.18707 190.2
[M+CH3COO]- 367.20272 210.7
[M+Na-2H]- 329.16354 179.9
[M]+ 308.18832 170.9
[M]- 308.18942 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.