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]+ 298.18016 170.0
[M+Na]+ 320.16210 174.8
[M-H]- 296.16560 175.4
[M+NH4]+ 315.20670 183.4
[M+K]+ 336.13604 174.4
[M+H-H2O]+ 280.17014 162.7
[M+HCOO]- 342.17108 186.8
[M+CH3COO]- 356.18673 179.7
[M+Na-2H]- 318.14755 173.6
[M]+ 297.17233 166.4
[M]- 297.17343 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.