CID 41249

54951-34-7

Structural Information

Molecular Formula
C18H30N2
SMILES
CC(C)N(CCN1CCCCC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C18H30N2/c1-15(2)20(16(3)4)14-13-19-12-8-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16H,7-8,10,12-14H2,1-4H3
InChIKey
JHOORYVOLSYYMM-UHFFFAOYSA-N
Compound name
N-propan-2-yl-N-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2409 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.24818 166.1
[M+Na]+ 297.23012 174.6
[M+NH4]+ 292.27472 173.7
[M+K]+ 313.20406 169.4
[M-H]- 273.23362 168.8
[M+Na-2H]- 295.21557 170.7
[M]+ 274.24035 168.0
[M]- 274.24145 168.0
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.