CID 70408

Brn 0487224

Structural Information

Molecular Formula
C19H24N2
SMILES
CN(C)CCCC1C2=CC=CC=C2CNC3=CC=CC=C13
InChI
InChI=1S/C19H24N2/c1-21(2)13-7-11-17-16-9-4-3-8-15(16)14-20-19-12-6-5-10-18(17)19/h3-6,8-10,12,17,20H,7,11,13-14H2,1-2H3
InChIKey
FZOUSPQHVIDYEY-UHFFFAOYSA-N
Compound name
3-(6,11-dihydro-5H-benzo[c][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 166.1
[M+Na]+ 303.183158 170.9
[M-H]- 279.186664 170.6
[M+NH4]+ 298.227763 181.8
[M+K]+ 319.157098 169.9
[M+H-H2O]+ 263.191200 159.3
[M+HCOO]- 325.192141 183.9
[M+CH3COO]- 339.207791 176.1
[M+Na-2H]- 301.168606 171.8
[M]+ 280.19339142 162.7
[M]- 280.19448858 162.7
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.