CID 18717

Ex 10-189 maleate

Structural Information

Molecular Formula
C19H24N2
SMILES
CNCCCC1C2=CC=CC=C2CN(C3=CC=CC=C13)C
InChI
InChI=1S/C19H24N2/c1-20-13-7-11-17-16-9-4-3-8-15(16)14-21(2)19-12-6-5-10-18(17)19/h3-6,8-10,12,17,20H,7,11,13-14H2,1-2H3
InChIKey
KMVBLCCWGMMLKH-UHFFFAOYSA-N
Compound name
N-methyl-3-(5-methyl-6,11-dihydrobenzo[c][1]benzazepin-11-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 166.7
[M+Na]+ 303.18316 172.6
[M-H]- 279.18666 171.5
[M+NH4]+ 298.22776 182.7
[M+K]+ 319.15710 171.1
[M+H-H2O]+ 263.19120 159.8
[M+HCOO]- 325.19214 185.4
[M+CH3COO]- 339.20779 177.1
[M+Na-2H]- 301.16861 172.7
[M]+ 280.19339 164.2
[M]- 280.19449 164.2
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.