CID 18717

3311-54-4

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]+ 281.201216 166.7
[M+Na]+ 303.183158 172.6
[M-H]- 279.186664 171.5
[M+NH4]+ 298.227763 182.7
[M+K]+ 319.157098 171.1
[M+H-H2O]+ 263.191200 159.8
[M+HCOO]- 325.192141 185.4
[M+CH3COO]- 339.207791 177.1
[M+Na-2H]- 301.168606 172.7
[M]+ 280.19339142 164.2
[M]- 280.19448858 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.