CID 168912

Ru 5031

Structural Information

Molecular Formula
C18H20N2
SMILES
CNCCC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C
InChI
InChI=1S/C18H20N2/c1-19-12-11-14-13-15-7-3-5-9-17(15)20(2)18-10-6-4-8-16(14)18/h3-10,13,19H,11-12H2,1-2H3
InChIKey
MHBXHCOUWYQAFZ-UHFFFAOYSA-N
Compound name
N-methyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

264.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 161.3
[M+Na]+ 287.15188 174.6
[M+NH4]+ 282.19648 170.3
[M+K]+ 303.12582 166.7
[M-H]- 263.15538 165.7
[M+Na-2H]- 285.13733 168.8
[M]+ 264.16211 164.7
[M]- 264.16321 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe