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]+ 281.20122 166.1
[M+Na]+ 303.18316 170.9
[M-H]- 279.18666 170.6
[M+NH4]+ 298.22776 181.8
[M+K]+ 319.15710 169.9
[M+H-H2O]+ 263.19120 159.3
[M+HCOO]- 325.19214 183.9
[M+CH3COO]- 339.20779 176.1
[M+Na-2H]- 301.16861 171.8
[M]+ 280.19339 162.7
[M]- 280.19449 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.