CID 135417156

30558-93-1

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]+ 309.19615 176.3
[M+Na]+ 331.17809 188.0
[M+NH4]+ 326.22269 184.0
[M+K]+ 347.15203 180.4
[M-H]- 307.18159 181.1
[M+Na-2H]- 329.16354 183.3
[M]+ 308.18832 179.4
[M]- 308.18942 179.4
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.