CID 392597

Nsc693140

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=CC=CC(=C1)CC2CC3=CC=CC=C3CC(=O)N2
InChI
InChI=1S/C18H19NO2/c1-21-17-8-4-5-13(10-17)9-16-11-14-6-2-3-7-15(14)12-18(20)19-16/h2-8,10,16H,9,11-12H2,1H3,(H,19,20)
InChIKey
YYGHAFWEGACSOK-UHFFFAOYSA-N
Compound name
2-[(3-methoxyphenyl)methyl]-1,2,3,5-tetrahydro-3-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 164.8
[M+Na]+ 304.13079 170.4
[M-H]- 280.13429 170.5
[M+NH4]+ 299.17539 178.8
[M+K]+ 320.10473 169.6
[M+H-H2O]+ 264.13883 157.8
[M+HCOO]- 326.13977 182.1
[M+CH3COO]- 340.15542 175.0
[M+Na-2H]- 302.11624 168.9
[M]+ 281.14102 160.2
[M]- 281.14212 160.2
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.