CID 135417141

28717-76-2

Structural Information

Molecular Formula
C19H22N2
SMILES
CCCN=C1C(CCC2=CC=CC=C2N1)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2/c1-2-14-20-19-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-18(16)21-19/h3-11,17H,2,12-14H2,1H3,(H,20,21)
InChIKey
UWNPWZAPUCIRMH-UHFFFAOYSA-N
Compound name
3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 166.9
[M+Na]+ 301.167498 171.1
[M-H]- 277.171004 173.2
[M+NH4]+ 296.212103 181.3
[M+K]+ 317.141438 169.5
[M+H-H2O]+ 261.175540 159.1
[M+HCOO]- 323.176481 185.9
[M+CH3COO]- 337.192131 176.7
[M+Na-2H]- 299.152946 171.9
[M]+ 278.17773142 160.6
[M]- 278.17882858 160.6
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.