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

0
Patents

278.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 166.9
[M+Na]+ 301.16750 171.1
[M-H]- 277.17100 173.2
[M+NH4]+ 296.21210 181.3
[M+K]+ 317.14144 169.5
[M+H-H2O]+ 261.17554 159.1
[M+HCOO]- 323.17648 185.9
[M+CH3COO]- 337.19213 176.7
[M+Na-2H]- 299.15295 171.9
[M]+ 278.17773 160.6
[M]- 278.17883 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.