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 174.8
[M+Na]+ 331.17809 179.3
[M-H]- 307.18159 181.3
[M+NH4]+ 326.22269 188.2
[M+K]+ 347.15203 178.3
[M+H-H2O]+ 291.18613 166.7
[M+HCOO]- 353.18707 193.6
[M+CH3COO]- 367.20272 184.3
[M+Na-2H]- 329.16354 178.6
[M]+ 308.18832 170.5
[M]- 308.18942 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.