CID 393749

Nsc696362

Structural Information

Molecular Formula
C19H23NO2
SMILES
COC1=C(C=C(C=C1)CC2CC3=CC=CC=C3CCN2)OC
InChI
InChI=1S/C19H23NO2/c1-21-18-8-7-14(12-19(18)22-2)11-17-13-16-6-4-3-5-15(16)9-10-20-17/h3-8,12,17,20H,9-11,13H2,1-2H3
InChIKey
MRAXILFJHXTLBF-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 170.0
[M+Na]+ 320.162098 174.8
[M-H]- 296.165604 175.4
[M+NH4]+ 315.206703 183.4
[M+K]+ 336.136038 174.4
[M+H-H2O]+ 280.170140 162.7
[M+HCOO]- 342.171081 186.8
[M+CH3COO]- 356.186731 179.7
[M+Na-2H]- 318.147546 173.6
[M]+ 297.17233142 166.4
[M]- 297.17342858 166.4
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.