CID 102741

Brn 1652015

Structural Information

Molecular Formula
C19H24N2
SMILES
CC(CN(C)C)N1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C19H24N2/c1-15(14-20(2)3)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
FHZGKLYMVPDVIS-UHFFFAOYSA-N
Compound name
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.19394 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 165.4
[M+Na]+ 303.18316 170.4
[M-H]- 279.18666 171.4
[M+NH4]+ 298.22776 181.7
[M+K]+ 319.15710 170.6
[M+H-H2O]+ 263.19120 158.5
[M+HCOO]- 325.19214 183.8
[M+CH3COO]- 339.20779 176.0
[M+Na-2H]- 301.16861 170.5
[M]+ 280.19339 163.2
[M]- 280.19449 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

patents stripe