CID 135417156

Dtxsid10952849

Structural Information

Molecular Formula
C20H24N2O
SMILES
CCCN=C1C2=C(CCC(N1)C3=CC=CC=C3)C=C(C=C2)OC
InChI
InChI=1S/C20H24N2O/c1-3-13-21-20-18-11-10-17(23-2)14-16(18)9-12-19(22-20)15-7-5-4-6-8-15/h4-8,10-11,14,19H,3,9,12-13H2,1-2H3,(H,21,22)
InChIKey
YVBJECGZMUOTNA-UHFFFAOYSA-N
Compound name
7-methoxy-3-phenyl-N-propyl-2,3,4,5-tetrahydro-2-benzazepin-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 174.8
[M+Na]+ 331.178088 179.3
[M-H]- 307.181594 181.3
[M+NH4]+ 326.222693 188.2
[M+K]+ 347.152028 178.3
[M+H-H2O]+ 291.186130 166.7
[M+HCOO]- 353.187071 193.6
[M+CH3COO]- 367.202721 184.3
[M+Na-2H]- 329.163536 178.6
[M]+ 308.18832142 170.5
[M]- 308.18941858 170.5
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.