CID 102742

2064-23-5

Structural Information

Molecular Formula
C19H24N2
SMILES
CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C19H24N2/c1-15(20(2)3)14-21-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)21/h4-11,15H,12-14H2,1-3H3
InChIKey
WMWZAQFDBNMOHR-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 165.4
[M+Na]+ 303.183158 170.4
[M-H]- 279.186664 171.4
[M+NH4]+ 298.227763 181.7
[M+K]+ 319.157098 170.6
[M+H-H2O]+ 263.191200 158.5
[M+HCOO]- 325.192141 183.8
[M+CH3COO]- 339.207791 176.0
[M+Na-2H]- 301.168606 170.5
[M]+ 280.19339142 163.2
[M]- 280.19448858 163.2
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.